There are many questions in chemistry that cannot be answered by simulation, or for which simulation is poorly effective. For instance, imagine trying to predict the effect of ligand structure on palladium ligation state: which ligands will lead to Lā¢M complexes, and which ligands will lead to L_{2}ā¢M complexes? Using simulation, one could model all conformers of the two states, apply corrections for free energy and for solvent effects, compute āG, and compare it to the experimental value. But solvation free energies are poorly predicted by DFT, and predicting the resting state of a complex with many low-energy aggregation states remains too challenging to accurately simulate routinely.

Instead, one could imagine a different approach: rather than simulating the entire system, one can generate descriptors for each compound in question and see if statistical approaches or machine learning can find a relationship between these descriptors and the output variable. This approach has, in fact, been applied to the specific task of predicting ligation state and found to work quite well!

There are real disadvantages to this cheminformatics-based method: it requires a training set of labeled examples with which to find a relationship, making it challenging in cases where very little data is present. On the other hand, in principle any chemical relationship can be learned this way! Unlike conventional simulation, where a new computational workflow must be built and benchmarked for each property, descriptor-based methods can be used even when no workflow exists, and for problems too complex to simulate (e.g. *in vivo* toxicity).

The above discussion purposely avoids specifying the nature of the descriptors. In reality, there are a number of competing descriptor schemes out there:

**Molecular fingerprints**, which turn 2D graph-based representations of molecules into bit vectors, are often used.**Cheminformatic descriptors**, like number of hydrogen bonds or fancier metrics, are also very commonly used.**Quantum mechanics-based descriptors**can be very helpful, as recent work from Green and co-workers shows, but are somewhat more expensive to compute.- And
**learned molecular representations**have attracted considerable attention in recent years.

Rowan's descriptor workflow automatically calculates over 1800 cheminformatic descriptors using `mordred-community`

and supplements these with quantum mechanics-based descriptors from xTB. (xTB-based charges are similar in quality to DFT-based charges, but are several orders of magnitude faster to compute, making them appealing for high-throughput workflows.)

For a full list of all descriptors in Rowan, see the bottom of this page.

Using Rowan's descriptor workflow, it's simple to compute hundreds of descriptors for a set of molecules: just paste in the SMILES strings and select the descriptor workflow. The output data can be viewed as a table, searched by descriptor, or downloaded as a `.csv`

file for further processing.

A PCA analysis performed on 103 descriptors calculations (view in Rowan)

If multiple descriptor calculations are selected, all descriptors can be viewed for each compound in a spreadsheet-like view. Principal component analysis (PCA) can be performed with the click of a button, making it simple to visually observe which compounds are similar and which are different. This self-supervised approach is often used to visualize chemical space. Both the bulk descriptor results and the PCA coordinates can also be downloaded as `.csv`

files for further processing.

Here's a full list of all the descriptors computed in Rowan (many of these descriptions are originally from Mordred's documentation):

Name | Dim. | Module | Description |
---|---|---|---|

ABC | 2D | ABCIndex | Atom-bond connectivity index |

ABCGG | 2D | ABCIndex | Graovac-Ghorbani atom-bond connectivity index |

nAcid | 2D | AcidBase | Acidic group count |

nBase | 2D | AcidBase | Basic group count |

SpAbs_A | 2D | AdjacencyMatrix | SpAbs of adjacency matrix |

SpMax_A | 2D | AdjacencyMatrix | SpMax of adjacency matrix |

SpDiam_A | 2D | AdjacencyMatrix | SpDiam of adjacency matrix |

SpAD_A | 2D | AdjacencyMatrix | SpAD of adjacency matrix |

SpMAD_A | 2D | AdjacencyMatrix | SpMAD of adjacency matrix |

LogEE_A | 2D | AdjacencyMatrix | LogEE of adjacency matrix |

VE1_A | 2D | AdjacencyMatrix | VE1 of adjacency matrix |

VE2_A | 2D | AdjacencyMatrix | VE2 of adjacency matrix |

VE3_A | 2D | AdjacencyMatrix | VE3 of adjacency matrix |

VR1_A | 2D | AdjacencyMatrix | VR1 of adjacency matrix |

VR2_A | 2D | AdjacencyMatrix | VR2 of adjacency matrix |

VR3_A | 2D | AdjacencyMatrix | VR3 of adjacency matrix |

nAromAtom | 2D | Aromatic | Aromatic atoms count |

nAromBond | 2D | Aromatic | Aromatic bonds count |

nAtom | 2D | AtomCount | Number of all atoms |

nHeavyAtom | 2D | AtomCount | Number of heavy atoms |

nSpiro | 2D | AtomCount | Number of spiro atoms |

nBridgehead | 2D | AtomCount | Number of bridgehead atoms |

nHetero | 2D | AtomCount | Number of hetero atoms |

nH | 2D | AtomCount | Number of H atoms |

nB | 2D | AtomCount | Number of B atoms |

nC | 2D | AtomCount | Number of C atoms |

nN | 2D | AtomCount | Number of N atoms |

nO | 2D | AtomCount | Number of O atoms |

nS | 2D | AtomCount | Number of S atoms |

nP | 2D | AtomCount | Number of P atoms |

nF | 2D | AtomCount | Number of F atoms |

nCl | 2D | AtomCount | Number of Cl atoms |

nBr | 2D | AtomCount | Number of Br atoms |

nI | 2D | AtomCount | Number of I atoms |

nX | 2D | AtomCount | Number of halogen atoms |

ATS0dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by valence electrons |

ATS1dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by valence electrons |

ATS2dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by valence electrons |

ATS3dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by valence electrons |

ATS4dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by valence electrons |

ATS5dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by valence electrons |

ATS6dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by valence electrons |

ATS7dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by valence electrons |

ATS8dv | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by valence electrons |

ATS0d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by sigma electrons |

ATS1d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by sigma electrons |

ATS2d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by sigma electrons |

ATS3d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by sigma electrons |

ATS4d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by sigma electrons |

ATS5d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by sigma electrons |

ATS6d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by sigma electrons |

ATS7d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by sigma electrons |

ATS8d | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by sigma electrons |

ATS0s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by intrinsic state |

ATS1s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by intrinsic state |

ATS2s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by intrinsic state |

ATS3s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by intrinsic state |

ATS4s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by intrinsic state |

ATS5s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by intrinsic state |

ATS6s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by intrinsic state |

ATS7s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by intrinsic state |

ATS8s | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by intrinsic state |

ATS0Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by atomic number |

ATS1Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by atomic number |

ATS2Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by atomic number |

ATS3Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by atomic number |

ATS4Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by atomic number |

ATS5Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by atomic number |

ATS6Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by atomic number |

ATS7Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by atomic number |

ATS8Z | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by atomic number |

ATS0m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by mass |

ATS1m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by mass |

ATS2m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by mass |

ATS3m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by mass |

ATS4m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by mass |

ATS5m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by mass |

ATS6m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by mass |

ATS7m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by mass |

ATS8m | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by mass |

ATS0v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by van der Waals volume |

ATS1v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by van der Waals volume |

ATS2v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by van der Waals volume |

ATS3v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by van der Waals volume |

ATS4v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by van der Waals volume |

ATS5v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by van der Waals volume |

ATS6v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by van der Waals volume |

ATS7v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by van der Waals volume |

ATS8v | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by van der Waals volume |

ATS0se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by Sanderson electronegativity |

ATS1se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by Sanderson electronegativity |

ATS2se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by Sanderson electronegativity |

ATS3se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by Sanderson electronegativity |

ATS4se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by Sanderson electronegativity |

ATS5se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by Sanderson electronegativity |

ATS6se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by Sanderson electronegativity |

ATS7se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by Sanderson electronegativity |

ATS8se | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by Sanderson electronegativity |

ATS0pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by Pauling electronegativity |

ATS1pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by Pauling electronegativity |

ATS2pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by Pauling electronegativity |

ATS3pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by Pauling electronegativity |

ATS4pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by Pauling electronegativity |

ATS5pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by Pauling electronegativity |

ATS6pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by Pauling electronegativity |

ATS7pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by Pauling electronegativity |

ATS8pe | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by Pauling electronegativity |

ATS0are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by Allred-Rochow EN |

ATS1are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by Allred-Rochow EN |

ATS2are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by Allred-Rochow EN |

ATS3are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by Allred-Rochow EN |

ATS4are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by Allred-Rochow EN |

ATS5are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by Allred-Rochow EN |

ATS6are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by Allred-Rochow EN |

ATS7are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by Allred-Rochow EN |

ATS8are | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by Allred-Rochow EN |

ATS0p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by polarizability |

ATS1p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by polarizability |

ATS2p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by polarizability |

ATS3p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by polarizability |

ATS4p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by polarizability |

ATS5p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by polarizability |

ATS6p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by polarizability |

ATS7p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by polarizability |

ATS8p | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by polarizability |

ATS0i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 0 weighted by ionization potential |

ATS1i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 1 weighted by ionization potential |

ATS2i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 2 weighted by ionization potential |

ATS3i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 3 weighted by ionization potential |

ATS4i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 4 weighted by ionization potential |

ATS5i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 5 weighted by ionization potential |

ATS6i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 6 weighted by ionization potential |

ATS7i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 7 weighted by ionization potential |

ATS8i | 2D | Autocorrelation | Moreau-Broto autocorrelation of lag 8 weighted by ionization potential |

AATS0dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by valence electrons |

AATS1dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by valence electrons |

AATS2dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by valence electrons |

AATS3dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by valence electrons |

AATS4dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by valence electrons |

AATS5dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by valence electrons |

AATS6dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by valence electrons |

AATS7dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by valence electrons |

AATS8dv | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by valence electrons |

AATS0d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by sigma electrons |

AATS1d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by sigma electrons |

AATS2d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by sigma electrons |

AATS3d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by sigma electrons |

AATS4d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by sigma electrons |

AATS5d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by sigma electrons |

AATS6d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by sigma electrons |

AATS7d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by sigma electrons |

AATS8d | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by sigma electrons |

AATS0s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by intrinsic state |

AATS1s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by intrinsic state |

AATS2s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by intrinsic state |

AATS3s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by intrinsic state |

AATS4s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by intrinsic state |

AATS5s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by intrinsic state |

AATS6s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by intrinsic state |

AATS7s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by intrinsic state |

AATS8s | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by intrinsic state |

AATS0Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by atomic number |

AATS1Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by atomic number |

AATS2Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by atomic number |

AATS3Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by atomic number |

AATS4Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by atomic number |

AATS5Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by atomic number |

AATS6Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by atomic number |

AATS7Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by atomic number |

AATS8Z | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by atomic number |

AATS0m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by mass |

AATS1m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by mass |

AATS2m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by mass |

AATS3m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by mass |

AATS4m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by mass |

AATS5m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by mass |

AATS6m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by mass |

AATS7m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by mass |

AATS8m | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by mass |

AATS0v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by van der Waals volume |

AATS1v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by van der Waals volume |

AATS2v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by van der Waals volume |

AATS3v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by van der Waals volume |

AATS4v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by van der Waals volume |

AATS5v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by van der Waals volume |

AATS6v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by van der Waals volume |

AATS7v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by van der Waals volume |

AATS8v | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by van der Waals volume |

AATS0se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by Sanderson electronegativity |

AATS1se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by Sanderson electronegativity |

AATS2se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by Sanderson electronegativity |

AATS3se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by Sanderson electronegativity |

AATS4se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by Sanderson electronegativity |

AATS5se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by Sanderson electronegativity |

AATS6se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by Sanderson electronegativity |

AATS7se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by Sanderson electronegativity |

AATS8se | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by Sanderson electronegativity |

AATS0pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by Pauling electronegativity |

AATS1pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by Pauling electronegativity |

AATS2pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by Pauling electronegativity |

AATS3pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by Pauling electronegativity |

AATS4pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by Pauling electronegativity |

AATS5pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by Pauling electronegativity |

AATS6pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by Pauling electronegativity |

AATS7pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by Pauling electronegativity |

AATS8pe | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by Pauling electronegativity |

AATS0are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by Allred-Rochow EN |

AATS1are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by Allred-Rochow EN |

AATS2are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by Allred-Rochow EN |

AATS3are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by Allred-Rochow EN |

AATS4are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by Allred-Rochow EN |

AATS5are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by Allred-Rochow EN |

AATS6are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by Allred-Rochow EN |

AATS7are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by Allred-Rochow EN |

AATS8are | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by Allred-Rochow EN |

AATS0p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by polarizability |

AATS1p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by polarizability |

AATS2p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by polarizability |

AATS3p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by polarizability |

AATS4p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by polarizability |

AATS5p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by polarizability |

AATS6p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by polarizability |

AATS7p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by polarizability |

AATS8p | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by polarizability |

AATS0i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 0 weighted by ionization potential |

AATS1i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 1 weighted by ionization potential |

AATS2i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 2 weighted by ionization potential |

AATS3i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 3 weighted by ionization potential |

AATS4i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 4 weighted by ionization potential |

AATS5i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 5 weighted by ionization potential |

AATS6i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 6 weighted by ionization potential |

AATS7i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 7 weighted by ionization potential |

AATS8i | 2D | Autocorrelation | Averaged Moreau-Broto autocorrelation of lag 8 weighted by ionization potential |

ATSC0c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by Gasteiger charge |

ATSC1c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by Gasteiger charge |

ATSC2c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by Gasteiger charge |

ATSC3c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by Gasteiger charge |

ATSC4c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by Gasteiger charge |

ATSC5c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by Gasteiger charge |

ATSC6c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by Gasteiger charge |

ATSC7c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by Gasteiger charge |

ATSC8c | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by Gasteiger charge |

ATSC0dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by valence electrons |

ATSC1dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by valence electrons |

ATSC2dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by valence electrons |

ATSC3dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by valence electrons |

ATSC4dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by valence electrons |

ATSC5dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by valence electrons |

ATSC6dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by valence electrons |

ATSC7dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by valence electrons |

ATSC8dv | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by valence electrons |

ATSC0d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by sigma electrons |

ATSC1d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by sigma electrons |

ATSC2d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by sigma electrons |

ATSC3d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by sigma electrons |

ATSC4d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by sigma electrons |

ATSC5d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by sigma electrons |

ATSC6d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by sigma electrons |

ATSC7d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by sigma electrons |

ATSC8d | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by sigma electrons |

ATSC0s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by intrinsic state |

ATSC1s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by intrinsic state |

ATSC2s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by intrinsic state |

ATSC3s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by intrinsic state |

ATSC4s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by intrinsic state |

ATSC5s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by intrinsic state |

ATSC6s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by intrinsic state |

ATSC7s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by intrinsic state |

ATSC8s | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by intrinsic state |

ATSC0Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by atomic number |

ATSC1Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by atomic number |

ATSC2Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by atomic number |

ATSC3Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by atomic number |

ATSC4Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by atomic number |

ATSC5Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by atomic number |

ATSC6Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by atomic number |

ATSC7Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by atomic number |

ATSC8Z | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by atomic number |

ATSC0m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by mass |

ATSC1m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by mass |

ATSC2m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by mass |

ATSC3m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by mass |

ATSC4m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by mass |

ATSC5m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by mass |

ATSC6m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by mass |

ATSC7m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by mass |

ATSC8m | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by mass |

ATSC0v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by van der Waals volume |

ATSC1v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by van der Waals volume |

ATSC2v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by van der Waals volume |

ATSC3v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by van der Waals volume |

ATSC4v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by van der Waals volume |

ATSC5v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by van der Waals volume |

ATSC6v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by van der Waals volume |

ATSC7v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by van der Waals volume |

ATSC8v | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by van der Waals volume |

ATSC0se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by Sanderson electronegativity |

ATSC1se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by Sanderson electronegativity |

ATSC2se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by Sanderson electronegativity |

ATSC3se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by Sanderson electronegativity |

ATSC4se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by Sanderson electronegativity |

ATSC5se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by Sanderson electronegativity |

ATSC6se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by Sanderson electronegativity |

ATSC7se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by Sanderson electronegativity |

ATSC8se | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by Sanderson electronegativity |

ATSC0pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by Pauling electronegativity |

ATSC1pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by Pauling electronegativity |

ATSC2pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by Pauling electronegativity |

ATSC3pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by Pauling electronegativity |

ATSC4pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by Pauling electronegativity |

ATSC5pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by Pauling electronegativity |

ATSC6pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by Pauling electronegativity |

ATSC7pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by Pauling electronegativity |

ATSC8pe | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by Pauling electronegativity |

ATSC0are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by Allred-Rochow EN |

ATSC1are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by Allred-Rochow EN |

ATSC2are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by Allred-Rochow EN |

ATSC3are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by Allred-Rochow EN |

ATSC4are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by Allred-Rochow EN |

ATSC5are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by Allred-Rochow EN |

ATSC6are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by Allred-Rochow EN |

ATSC7are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by Allred-Rochow EN |

ATSC8are | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by Allred-Rochow EN |

ATSC0p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by polarizability |

ATSC1p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by polarizability |

ATSC2p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by polarizability |

ATSC3p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by polarizability |

ATSC4p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by polarizability |

ATSC5p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by polarizability |

ATSC6p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by polarizability |

ATSC7p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by polarizability |

ATSC8p | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by polarizability |

ATSC0i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 0 weighted by ionization potential |

ATSC1i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 1 weighted by ionization potential |

ATSC2i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 2 weighted by ionization potential |

ATSC3i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 3 weighted by ionization potential |

ATSC4i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 4 weighted by ionization potential |

ATSC5i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 5 weighted by ionization potential |

ATSC6i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 6 weighted by ionization potential |

ATSC7i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 7 weighted by ionization potential |

ATSC8i | 2D | Autocorrelation | Centered Moreau-Broto autocorrelation of lag 8 weighted by ionization potential |

AATSC0c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by Gasteiger charge |

AATSC1c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by Gasteiger charge |

AATSC2c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by Gasteiger charge |

AATSC3c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by Gasteiger charge |

AATSC4c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by Gasteiger charge |

AATSC5c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by Gasteiger charge |

AATSC6c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by Gasteiger charge |

AATSC7c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by Gasteiger charge |

AATSC8c | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by Gasteiger charge |

AATSC0dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by valence electrons |

AATSC1dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by valence electrons |

AATSC2dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by valence electrons |

AATSC3dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by valence electrons |

AATSC4dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by valence electrons |

AATSC5dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by valence electrons |

AATSC6dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by valence electrons |

AATSC7dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by valence electrons |

AATSC8dv | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by valence electrons |

AATSC0d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by sigma electrons |

AATSC1d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by sigma electrons |

AATSC2d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by sigma electrons |

AATSC3d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by sigma electrons |

AATSC4d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by sigma electrons |

AATSC5d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by sigma electrons |

AATSC6d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by sigma electrons |

AATSC7d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by sigma electrons |

AATSC8d | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by sigma electrons |

AATSC0s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by intrinsic state |

AATSC1s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by intrinsic state |

AATSC2s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by intrinsic state |

AATSC3s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by intrinsic state |

AATSC4s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by intrinsic state |

AATSC5s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by intrinsic state |

AATSC6s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by intrinsic state |

AATSC7s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by intrinsic state |

AATSC8s | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by intrinsic state |

AATSC0Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by atomic number |

AATSC1Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by atomic number |

AATSC2Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by atomic number |

AATSC3Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by atomic number |

AATSC4Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by atomic number |

AATSC5Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by atomic number |

AATSC6Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by atomic number |

AATSC7Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by atomic number |

AATSC8Z | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by atomic number |

AATSC0m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by mass |

AATSC1m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by mass |

AATSC2m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by mass |

AATSC3m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by mass |

AATSC4m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by mass |

AATSC5m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by mass |

AATSC6m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by mass |

AATSC7m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by mass |

AATSC8m | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by mass |

AATSC0v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by van der Waals volume |

AATSC1v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by van der Waals volume |

AATSC2v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by van der Waals volume |

AATSC3v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by van der Waals volume |

AATSC4v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by van der Waals volume |

AATSC5v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by van der Waals volume |

AATSC6v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by van der Waals volume |

AATSC7v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by van der Waals volume |

AATSC8v | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by van der Waals volume |

AATSC0se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by Sanderson electronegativity |

AATSC1se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by Sanderson electronegativity |

AATSC2se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by Sanderson electronegativity |

AATSC3se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by Sanderson electronegativity |

AATSC4se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by Sanderson electronegativity |

AATSC5se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by Sanderson electronegativity |

AATSC6se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by Sanderson electronegativity |

AATSC7se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by Sanderson electronegativity |

AATSC8se | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by Sanderson electronegativity |

AATSC0pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by Pauling electronegativity |

AATSC1pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by Pauling electronegativity |

AATSC2pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by Pauling electronegativity |

AATSC3pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by Pauling electronegativity |

AATSC4pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by Pauling electronegativity |

AATSC5pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by Pauling electronegativity |

AATSC6pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by Pauling electronegativity |

AATSC7pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by Pauling electronegativity |

AATSC8pe | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by Pauling electronegativity |

AATSC0are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by Allred-Rochow EN |

AATSC1are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by Allred-Rochow EN |

AATSC2are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by Allred-Rochow EN |

AATSC3are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by Allred-Rochow EN |

AATSC4are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by Allred-Rochow EN |

AATSC5are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by Allred-Rochow EN |

AATSC6are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by Allred-Rochow EN |

AATSC7are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by Allred-Rochow EN |

AATSC8are | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by Allred-Rochow EN |

AATSC0p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by polarizability |

AATSC1p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by polarizability |

AATSC2p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by polarizability |

AATSC3p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by polarizability |

AATSC4p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by polarizability |

AATSC5p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by polarizability |

AATSC6p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by polarizability |

AATSC7p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by polarizability |

AATSC8p | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by polarizability |

AATSC0i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 0 weighted by ionization potential |

AATSC1i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 1 weighted by ionization potential |

AATSC2i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 2 weighted by ionization potential |

AATSC3i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 3 weighted by ionization potential |

AATSC4i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 4 weighted by ionization potential |

AATSC5i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 5 weighted by ionization potential |

AATSC6i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 6 weighted by ionization potential |

AATSC7i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 7 weighted by ionization potential |

AATSC8i | 2D | Autocorrelation | Averaged and centered Moreau-Broto autocorrelation of lag 8 weighted by ionization potential |

MATS1c | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by Gasteiger charge |

MATS2c | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by Gasteiger charge |

MATS3c | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by Gasteiger charge |

MATS4c | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by Gasteiger charge |

MATS5c | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by Gasteiger charge |

MATS6c | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by Gasteiger charge |

MATS7c | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by Gasteiger charge |

MATS8c | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by Gasteiger charge |

MATS1dv | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by valence electrons |

MATS2dv | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by valence electrons |

MATS3dv | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by valence electrons |

MATS4dv | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by valence electrons |

MATS5dv | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by valence electrons |

MATS6dv | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by valence electrons |

MATS7dv | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by valence electrons |

MATS8dv | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by valence electrons |

MATS1d | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by sigma electrons |

MATS2d | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by sigma electrons |

MATS3d | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by sigma electrons |

MATS4d | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by sigma electrons |

MATS5d | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by sigma electrons |

MATS6d | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by sigma electrons |

MATS7d | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by sigma electrons |

MATS8d | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by sigma electrons |

MATS1s | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by intrinsic state |

MATS2s | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by intrinsic state |

MATS3s | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by intrinsic state |

MATS4s | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by intrinsic state |

MATS5s | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by intrinsic state |

MATS6s | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by intrinsic state |

MATS7s | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by intrinsic state |

MATS8s | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by intrinsic state |

MATS1Z | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by atomic number |

MATS2Z | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by atomic number |

MATS3Z | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by atomic number |

MATS4Z | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by atomic number |

MATS5Z | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by atomic number |

MATS6Z | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by atomic number |

MATS7Z | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by atomic number |

MATS8Z | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by atomic number |

MATS1m | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by mass |

MATS2m | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by mass |

MATS3m | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by mass |

MATS4m | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by mass |

MATS5m | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by mass |

MATS6m | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by mass |

MATS7m | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by mass |

MATS8m | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by mass |

MATS1v | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by van der Waals volume |

MATS2v | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by van der Waals volume |

MATS3v | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by van der Waals volume |

MATS4v | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by van der Waals volume |

MATS5v | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by van der Waals volume |

MATS6v | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by van der Waals volume |

MATS7v | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by van der Waals volume |

MATS8v | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by van der Waals volume |

MATS1se | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by Sanderson electronegativity |

MATS2se | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by Sanderson electronegativity |

MATS3se | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by Sanderson electronegativity |

MATS4se | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by Sanderson electronegativity |

MATS5se | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by Sanderson electronegativity |

MATS6se | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by Sanderson electronegativity |

MATS7se | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by Sanderson electronegativity |

MATS8se | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by Sanderson electronegativity |

MATS1pe | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by Pauling electronegativity |

MATS2pe | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by Pauling electronegativity |

MATS3pe | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by Pauling electronegativity |

MATS4pe | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by Pauling electronegativity |

MATS5pe | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by Pauling electronegativity |

MATS6pe | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by Pauling electronegativity |

MATS7pe | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by Pauling electronegativity |

MATS8pe | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by Pauling electronegativity |

MATS1are | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by Allred-Rochow EN |

MATS2are | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by Allred-Rochow EN |

MATS3are | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by Allred-Rochow EN |

MATS4are | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by Allred-Rochow EN |

MATS5are | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by Allred-Rochow EN |

MATS6are | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by Allred-Rochow EN |

MATS7are | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by Allred-Rochow EN |

MATS8are | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by Allred-Rochow EN |

MATS1p | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by polarizability |

MATS2p | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by polarizability |

MATS3p | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by polarizability |

MATS4p | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by polarizability |

MATS5p | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by polarizability |

MATS6p | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by polarizability |

MATS7p | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by polarizability |

MATS8p | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by polarizability |

MATS1i | 2D | Autocorrelation | Moran coefficient of lag 1 weighted by ionization potential |

MATS2i | 2D | Autocorrelation | Moran coefficient of lag 2 weighted by ionization potential |

MATS3i | 2D | Autocorrelation | Moran coefficient of lag 3 weighted by ionization potential |

MATS4i | 2D | Autocorrelation | Moran coefficient of lag 4 weighted by ionization potential |

MATS5i | 2D | Autocorrelation | Moran coefficient of lag 5 weighted by ionization potential |

MATS6i | 2D | Autocorrelation | Moran coefficient of lag 6 weighted by ionization potential |

MATS7i | 2D | Autocorrelation | Moran coefficient of lag 7 weighted by ionization potential |

MATS8i | 2D | Autocorrelation | Moran coefficient of lag 8 weighted by ionization potential |

GATS1c | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by Gasteiger charge |

GATS2c | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by Gasteiger charge |

GATS3c | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by Gasteiger charge |

GATS4c | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by Gasteiger charge |

GATS5c | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by Gasteiger charge |

GATS6c | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by Gasteiger charge |

GATS7c | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by Gasteiger charge |

GATS8c | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by Gasteiger charge |

GATS1dv | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by valence electrons |

GATS2dv | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by valence electrons |

GATS3dv | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by valence electrons |

GATS4dv | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by valence electrons |

GATS5dv | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by valence electrons |

GATS6dv | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by valence electrons |

GATS7dv | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by valence electrons |

GATS8dv | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by valence electrons |

GATS1d | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by sigma electrons |

GATS2d | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by sigma electrons |

GATS3d | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by sigma electrons |

GATS4d | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by sigma electrons |

GATS5d | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by sigma electrons |

GATS6d | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by sigma electrons |

GATS7d | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by sigma electrons |

GATS8d | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by sigma electrons |

GATS1s | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by intrinsic state |

GATS2s | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by intrinsic state |

GATS3s | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by intrinsic state |

GATS4s | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by intrinsic state |

GATS5s | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by intrinsic state |

GATS6s | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by intrinsic state |

GATS7s | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by intrinsic state |

GATS8s | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by intrinsic state |

GATS1Z | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by atomic number |

GATS2Z | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by atomic number |

GATS3Z | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by atomic number |

GATS4Z | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by atomic number |

GATS5Z | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by atomic number |

GATS6Z | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by atomic number |

GATS7Z | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by atomic number |

GATS8Z | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by atomic number |

GATS1m | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by mass |

GATS2m | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by mass |

GATS3m | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by mass |

GATS4m | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by mass |

GATS5m | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by mass |

GATS6m | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by mass |

GATS7m | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by mass |

GATS8m | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by mass |

GATS1v | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by van der Waals volume |

GATS2v | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by van der Waals volume |

GATS3v | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by van der Waals volume |

GATS4v | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by van der Waals volume |

GATS5v | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by van der Waals volume |

GATS6v | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by van der Waals volume |

GATS7v | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by van der Waals volume |

GATS8v | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by van der Waals volume |

GATS1se | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by Sanderson electronegativity |

GATS2se | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by Sanderson electronegativity |

GATS3se | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by Sanderson electronegativity |

GATS4se | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by Sanderson electronegativity |

GATS5se | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by Sanderson electronegativity |

GATS6se | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by Sanderson electronegativity |

GATS7se | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by Sanderson electronegativity |

GATS8se | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by Sanderson electronegativity |

GATS1pe | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by Pauling electronegativity |

GATS2pe | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by Pauling electronegativity |

GATS3pe | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by Pauling electronegativity |

GATS4pe | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by Pauling electronegativity |

GATS5pe | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by Pauling electronegativity |

GATS6pe | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by Pauling electronegativity |

GATS7pe | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by Pauling electronegativity |

GATS8pe | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by Pauling electronegativity |

GATS1are | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by Allred-Rochow EN |

GATS2are | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by Allred-Rochow EN |

GATS3are | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by Allred-Rochow EN |

GATS4are | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by Allred-Rochow EN |

GATS5are | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by Allred-Rochow EN |

GATS6are | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by Allred-Rochow EN |

GATS7are | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by Allred-Rochow EN |

GATS8are | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by Allred-Rochow EN |

GATS1p | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by polarizability |

GATS2p | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by polarizability |

GATS3p | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by polarizability |

GATS4p | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by polarizability |

GATS5p | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by polarizability |

GATS6p | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by polarizability |

GATS7p | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by polarizability |

GATS8p | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by polarizability |

GATS1i | 2D | Autocorrelation | Geary coefficient of lag 1 weighted by ionization potential |

GATS2i | 2D | Autocorrelation | Geary coefficient of lag 2 weighted by ionization potential |

GATS3i | 2D | Autocorrelation | Geary coefficient of lag 3 weighted by ionization potential |

GATS4i | 2D | Autocorrelation | Geary coefficient of lag 4 weighted by ionization potential |

GATS5i | 2D | Autocorrelation | Geary coefficient of lag 5 weighted by ionization potential |

GATS6i | 2D | Autocorrelation | Geary coefficient of lag 6 weighted by ionization potential |

GATS7i | 2D | Autocorrelation | Geary coefficient of lag 7 weighted by ionization potential |

GATS8i | 2D | Autocorrelation | Geary coefficient of lag 8 weighted by ionization potential |

BCUTc-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by Gasteiger charge |

BCUTc-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by Gasteiger charge |

BCUTdv-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by valence electrons |

BCUTdv-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by valence electrons |

BCUTd-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by sigma electrons |

BCUTd-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by sigma electrons |

BCUTs-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by intrinsic state |

BCUTs-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by intrinsic state |

BCUTZ-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by atomic number |

BCUTZ-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by atomic number |

BCUTm-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by mass |

BCUTm-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by mass |

BCUTv-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by van der Waals volume |

BCUTv-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by van der Waals volume |

BCUTse-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by Sanderson electronegativity |

BCUTse-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by Sanderson electronegativity |

BCUTpe-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by Pauling electronegativity |

BCUTpe-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by Pauling electronegativity |

BCUTare-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by Allred-Rochow EN |

BCUTare-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by Allred-Rochow EN |

BCUTp-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by polarizability |

BCUTp-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by polarizability |

BCUTi-1h | 2D | BCUT | First highest eigenvalue of Burden matrix weighted by ionization potential |

BCUTi-1l | 2D | BCUT | First lowest eigenvalue of Burden matrix weighted by ionization potential |

BalabanJ | 2D | BalabanJ | Balabanās J index |

SpAbs_DzZ | 2D | BaryszMatrix | Graph energy from Barysz matrix weighted by atomic number |

SpMax_DzZ | 2D | BaryszMatrix | Leading eigenvalue from Barysz matrix weighted by atomic number |

SpDiam_DzZ | 2D | BaryszMatrix | Spectral diameter from Barysz matrix weighted by atomic number |

SpAD_DzZ | 2D | BaryszMatrix | Spectral absolute deviation from Barysz matrix weighted by atomic number |

SpMAD_DzZ | 2D | BaryszMatrix | Spectral mean absolute deviation from Barysz matrix weighted by atomic number |

LogEE_DzZ | 2D | BaryszMatrix | Estrada-like index from Barysz matrix weighted by atomic number |

SM1_DzZ | 2D | BaryszMatrix | Spectral moment from Barysz matrix weighted by atomic number |

VE1_DzZ | 2D | BaryszMatrix | Coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number |

VE2_DzZ | 2D | BaryszMatrix | Average coefficient of the last eigenvector from Barysz matrix weighted by atomic number |

VE3_DzZ | 2D | BaryszMatrix | Logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number |

VR1_DzZ | 2D | BaryszMatrix | Randic-like eigenvector-based index from Barysz matrix weighted by atomic number |

VR2_DzZ | 2D | BaryszMatrix | Normalized Randic-like eigenvector-based index from Barysz matrix weighted by atomic number |

VR3_DzZ | 2D | BaryszMatrix | Logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by atomic number |

SpAbs_Dzm | 2D | BaryszMatrix | Graph energy from Barysz matrix weighted by mass |

SpMax_Dzm | 2D | BaryszMatrix | Leading eigenvalue from Barysz matrix weighted by mass |

SpDiam_Dzm | 2D | BaryszMatrix | Spectral diameter from Barysz matrix weighted by mass |

SpAD_Dzm | 2D | BaryszMatrix | Spectral absolute deviation from Barysz matrix weighted by mass |

SpMAD_Dzm | 2D | BaryszMatrix | Spectral mean absolute deviation from Barysz matrix weighted by mass |

LogEE_Dzm | 2D | BaryszMatrix | Estrada-like index from Barysz matrix weighted by mass |

SM1_Dzm | 2D | BaryszMatrix | Spectral moment from Barysz matrix weighted by mass |

VE1_Dzm | 2D | BaryszMatrix | Coefficient sum of the last eigenvector from Barysz matrix weighted by mass |

VE2_Dzm | 2D | BaryszMatrix | Average coefficient of the last eigenvector from Barysz matrix weighted by mass |

VE3_Dzm | 2D | BaryszMatrix | Logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by mass |

VR1_Dzm | 2D | BaryszMatrix | Randic-like eigenvector-based index from Barysz matrix weighted by mass |

VR2_Dzm | 2D | BaryszMatrix | Normalized Randic-like eigenvector-based index from Barysz matrix weighted by mass |

VR3_Dzm | 2D | BaryszMatrix | Logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by mass |

SpAbs_Dzv | 2D | BaryszMatrix | Graph energy from Barysz matrix weighted by van der Waals volume |

SpMax_Dzv | 2D | BaryszMatrix | Leading eigenvalue from Barysz matrix weighted by van der Waals volume |

SpDiam_Dzv | 2D | BaryszMatrix | Spectral diameter from Barysz matrix weighted by van der Waals volume |

SpAD_Dzv | 2D | BaryszMatrix | Spectral absolute deviation from Barysz matrix weighted by van der Waals volume |

SpMAD_Dzv | 2D | BaryszMatrix | Spectral mean absolute deviation from Barysz matrix weighted by van der Waals volume |

LogEE_Dzv | 2D | BaryszMatrix | Estrada-like index from Barysz matrix weighted by van der Waals volume |

SM1_Dzv | 2D | BaryszMatrix | Spectral moment from Barysz matrix weighted by van der Waals volume |

VE1_Dzv | 2D | BaryszMatrix | Coefficient sum of the last eigenvector from Barysz matrix weighted by van der Waals volume |

VE2_Dzv | 2D | BaryszMatrix | Average coefficient of the last eigenvector from Barysz matrix weighted by van der Waals volume |

VE3_Dzv | 2D | BaryszMatrix | Logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by van der Waals volume |

VR1_Dzv | 2D | BaryszMatrix | Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume |

VR2_Dzv | 2D | BaryszMatrix | Normalized Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume |

VR3_Dzv | 2D | BaryszMatrix | Logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by van der Waals volume |

SpAbs_Dzse | 2D | BaryszMatrix | Graph energy from Barysz matrix weighted by Sanderson electronegativity |

SpMax_Dzse | 2D | BaryszMatrix | Leading eigenvalue from Barysz matrix weighted by Sanderson electronegativity |

SpDiam_Dzse | 2D | BaryszMatrix | Spectral diameter from Barysz matrix weighted by Sanderson electronegativity |

SpAD_Dzse | 2D | BaryszMatrix | Spectral absolute deviation from Barysz matrix weighted by Sanderson electronegativity |

SpMAD_Dzse | 2D | BaryszMatrix | Spectral mean absolute deviation from Barysz matrix weighted by Sanderson electronegativity |

LogEE_Dzse | 2D | BaryszMatrix | Estrada-like index from Barysz matrix weighted by Sanderson electronegativity |

SM1_Dzse | 2D | BaryszMatrix | Spectral moment from Barysz matrix weighted by Sanderson electronegativity |

VE1_Dzse | 2D | BaryszMatrix | Coefficient sum of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity |

VE2_Dzse | 2D | BaryszMatrix | Average coefficient of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity |

VE3_Dzse | 2D | BaryszMatrix | Logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by Sanderson electronegativity |

VR1_Dzse | 2D | BaryszMatrix | Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity |

VR2_Dzse | 2D | BaryszMatrix | Normalized Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity |

VR3_Dzse | 2D | BaryszMatrix | Logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by Sanderson electronegativity |

SpAbs_Dzpe | 2D | BaryszMatrix | Graph energy from Barysz matrix weighted by Pauling electronegativity |

SpMax_Dzpe | 2D | BaryszMatrix | Leading eigenvalue from Barysz matrix weighted by Pauling electronegativity |

SpDiam_Dzpe | 2D | BaryszMatrix | Spectral diameter from Barysz matrix weighted by Pauling electronegativity |

SpAD_Dzpe | 2D | BaryszMatrix | Spectral absolute deviation from Barysz matrix weighted by Pauling electronegativity |

SpMAD_Dzpe | 2D | BaryszMatrix | Spectral mean absolute deviation from Barysz matrix weighted by Pauling electronegativity |

LogEE_Dzpe | 2D | BaryszMatrix | Estrada-like index from Barysz matrix weighted by Pauling electronegativity |

SM1_Dzpe | 2D | BaryszMatrix | Spectral moment from Barysz matrix weighted by Pauling electronegativity |

VE1_Dzpe | 2D | BaryszMatrix | Coefficient sum of the last eigenvector from Barysz matrix weighted by Pauling electronegativity |

VE2_Dzpe | 2D | BaryszMatrix | Average coefficient of the last eigenvector from Barysz matrix weighted by Pauling electronegativity |

VE3_Dzpe | 2D | BaryszMatrix | Logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by Pauling electronegativity |

VR1_Dzpe | 2D | BaryszMatrix | Randic-like eigenvector-based index from Barysz matrix weighted by Pauling electronegativity |

VR2_Dzpe | 2D | BaryszMatrix | Normalized Randic-like eigenvector-based index from Barysz matrix weighted by Pauling electronegativity |

VR3_Dzpe | 2D | BaryszMatrix | Logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by Pauling electronegativity |

SpAbs_Dzare | 2D | BaryszMatrix | Graph energy from Barysz matrix weighted by Allred-Rochow EN |

SpMax_Dzare | 2D | BaryszMatrix | Leading eigenvalue from Barysz matrix weighted by Allred-Rochow EN |

SpDiam_Dzare | 2D | BaryszMatrix | Spectral diameter from Barysz matrix weighted by Allred-Rochow EN |

SpAD_Dzare | 2D | BaryszMatrix | Spectral absolute deviation from Barysz matrix weighted by Allred-Rochow EN |

SpMAD_Dzare | 2D | BaryszMatrix | Spectral mean absolute deviation from Barysz matrix weighted by Allred-Rochow EN |

LogEE_Dzare | 2D | BaryszMatrix | Estrada-like index from Barysz matrix weighted by Allred-Rochow EN |

SM1_Dzare | 2D | BaryszMatrix | Spectral moment from Barysz matrix weighted by Allred-Rochow EN |

VE1_Dzare | 2D | BaryszMatrix | Coefficient sum of the last eigenvector from Barysz matrix weighted by Allred-Rochow EN |

VE2_Dzare | 2D | BaryszMatrix | Average coefficient of the last eigenvector from Barysz matrix weighted by Allred-Rochow EN |

VE3_Dzare | 2D | BaryszMatrix | Logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by Allred-Rochow EN |

VR1_Dzare | 2D | BaryszMatrix | Randic-like eigenvector-based index from Barysz matrix weighted by Allred-Rochow EN |

VR2_Dzare | 2D | BaryszMatrix | Normalized Randic-like eigenvector-based index from Barysz matrix weighted by Allred-Rochow EN |

VR3_Dzare | 2D | BaryszMatrix | Logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by Allred-Rochow EN |

SpAbs_Dzp | 2D | BaryszMatrix | Graph energy from Barysz matrix weighted by polarizability |

SpMax_Dzp | 2D | BaryszMatrix | Leading eigenvalue from Barysz matrix weighted by polarizability |

SpDiam_Dzp | 2D | BaryszMatrix | Spectral diameter from Barysz matrix weighted by polarizability |

SpAD_Dzp | 2D | BaryszMatrix | Spectral absolute deviation from Barysz matrix weighted by polarizability |

SpMAD_Dzp | 2D | BaryszMatrix | Spectral mean absolute deviation from Barysz matrix weighted by polarizability |

LogEE_Dzp | 2D | BaryszMatrix | Estrada-like index from Barysz matrix weighted by polarizability |

SM1_Dzp | 2D | BaryszMatrix | Spectral moment from Barysz matrix weighted by polarizability |

VE1_Dzp | 2D | BaryszMatrix | Coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability |

VE2_Dzp | 2D | BaryszMatrix | Average coefficient of the last eigenvector from Barysz matrix weighted by polarizability |

VE3_Dzp | 2D | BaryszMatrix | Logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by polarizability |

VR1_Dzp | 2D | BaryszMatrix | Randic-like eigenvector-based index from Barysz matrix weighted by polarizability |

VR2_Dzp | 2D | BaryszMatrix | Normalized Randic-like eigenvector-based index from Barysz matrix weighted by polarizability |

VR3_Dzp | 2D | BaryszMatrix | Logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by polarizability |

SpAbs_Dzi | 2D | BaryszMatrix | Graph energy from Barysz matrix weighted by ionization potential |

SpMax_Dzi | 2D | BaryszMatrix | Leading eigenvalue from Barysz matrix weighted by ionization potential |

SpDiam_Dzi | 2D | BaryszMatrix | Spectral diameter from Barysz matrix weighted by ionization potential |

SpAD_Dzi | 2D | BaryszMatrix | Spectral absolute deviation from Barysz matrix weighted by ionization potential |

SpMAD_Dzi | 2D | BaryszMatrix | Spectral mean absolute deviation from Barysz matrix weighted by ionization potential |

LogEE_Dzi | 2D | BaryszMatrix | Estrada-like index from Barysz matrix weighted by ionization potential |

SM1_Dzi | 2D | BaryszMatrix | Spectral moment from Barysz matrix weighted by ionization potential |

VE1_Dzi | 2D | BaryszMatrix | Coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential |

VE2_Dzi | 2D | BaryszMatrix | Average coefficient of the last eigenvector from Barysz matrix weighted by ionization potential |

VE3_Dzi | 2D | BaryszMatrix | Logarithmic coefficient sum of the last eigenvector from Barysz matrix weighted by ionization potential |

VR1_Dzi | 2D | BaryszMatrix | Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential |

VR2_Dzi | 2D | BaryszMatrix | Normalized Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential |

VR3_Dzi | 2D | BaryszMatrix | Logarithmic Randic-like eigenvector-based index from Barysz matrix weighted by ionization potential |

BertzCT | 2D | BertzCT | Bertz complexity |

nBonds | 2D | BondCount | Number of all bonds in non-kekulized structure |

nBondsO | 2D | BondCount | Number of bonds connecting to heavy atom in non-kekulized structure |

nBondsS | 2D | BondCount | Number of single bonds in non-kekulized structure |

nBondsD | 2D | BondCount | Number of double bonds in non-kekulized structure |

nBondsT | 2D | BondCount | Number of triple bonds in non-kekulized structure |

nBondsA | 2D | BondCount | Number of aromatic bonds in non-kekulized structure |

nBondsM | 2D | BondCount | Number of multiple bonds in non-kekulized structure |

nBondsKS | 2D | BondCount | Number of single bonds in kekulized structure |

nBondsKD | 2D | BondCount | Number of double bonds in kekulized structure |

PNSA1 | 3D | CPSA | Partial negative surface area (version 1) |

PNSA2 | 3D | CPSA | Partial negative surface area (version 2) |

PNSA3 | 3D | CPSA | Partial negative surface area (version 3) |

PNSA4 | 3D | CPSA | Partial negative surface area (version 4) |

PNSA5 | 3D | CPSA | Partial negative surface area (version 5) |

PPSA1 | 3D | CPSA | Partial positive surface area (version 1) |

PPSA2 | 3D | CPSA | Partial positive surface area (version 2) |

PPSA3 | 3D | CPSA | Partial positive surface area (version 3) |

PPSA4 | 3D | CPSA | Partial positive surface area (version 4) |

PPSA5 | 3D | CPSA | Partial positive surface area (version 5) |

DPSA1 | 3D | CPSA | Difference in charged partial surface area (version 1) |

DPSA2 | 3D | CPSA | Difference in charged partial surface area (version 2) |

DPSA3 | 3D | CPSA | Difference in charged partial surface area (version 3) |

DPSA4 | 3D | CPSA | Difference in charged partial surface area (version 4) |

DPSA5 | 3D | CPSA | Difference in charged partial surface area (version 5) |

FNSA1 | 3D | CPSA | Fractional charged partial negative surface area (version 1) |

FNSA2 | 3D | CPSA | Fractional charged partial negative surface area (version 2) |

FNSA3 | 3D | CPSA | Fractional charged partial negative surface area (version 3) |

FNSA4 | 3D | CPSA | Fractional charged partial negative surface area (version 4) |

FNSA5 | 3D | CPSA | Fractional charged partial negative surface area (version 5) |

FPSA1 | 3D | CPSA | Fractional charged partial positive surface area (version 1) |

FPSA2 | 3D | CPSA | Fractional charged partial positive surface area (version 2) |

FPSA3 | 3D | CPSA | Fractional charged partial positive surface area (version 3) |

FPSA4 | 3D | CPSA | Fractional charged partial positive surface area (version 4) |

FPSA5 | 3D | CPSA | Fractional charged partial positive surface area (version 5) |

WNSA1 | 3D | CPSA | Surface weighted charged partial negative surface area (version 1) |

WNSA2 | 3D | CPSA | Surface weighted charged partial negative surface area (version 2) |

WNSA3 | 3D | CPSA | Surface weighted charged partial negative surface area (version 3) |

WNSA4 | 3D | CPSA | Surface weighted charged partial negative surface area (version 4) |

WNSA5 | 3D | CPSA | Surface weighted charged partial negative surface area (version 5) |

WPSA1 | 3D | CPSA | Surface weighted charged partial positive surface area (version 1) |

WPSA2 | 3D | CPSA | Surface weighted charged partial positive surface area (version 2) |

WPSA3 | 3D | CPSA | Surface weighted charged partial positive surface area (version 3) |

WPSA4 | 3D | CPSA | Surface weighted charged partial positive surface area (version 4) |

WPSA5 | 3D | CPSA | Surface weighted charged partial positive surface area (version 5) |

RNCG | 2D | CPSA | Relative negative charge |

RPCG | 2D | CPSA | Relative positive charge |

RNCS | 3D | CPSA | Relative negative charge surface area |

RPCS | 3D | CPSA | Relative positive charge surface area |

TASA | 3D | CPSA | Total hydrophobic surface area |

TPSA | 3D | CPSA | Total polar surface area |

RASA | 3D | CPSA | Relative hydrophobic surface area |

RPSA | 3D | CPSA | Relative polar surface area |

C1SP1 | 2D | CarbonTypes | SP carbon bound to 1 other carbon |

C2SP1 | 2D | CarbonTypes | SP carbon bound to 2 other carbons |

C1SP2 | 2D | CarbonTypes | SP2 carbon bound to 1 other carbon |

C2SP2 | 2D | CarbonTypes | SP2 carbon bound to 2 other carbons |

C3SP2 | 2D | CarbonTypes | SP2 carbon bound to 3 other carbons |

C1SP3 | 2D | CarbonTypes | SP3 carbon bound to 1 other carbon |

C2SP3 | 2D | CarbonTypes | SP3 carbon bound to 2 other carbons |

C3SP3 | 2D | CarbonTypes | SP3 carbon bound to 3 other carbons |

C4SP3 | 2D | CarbonTypes | SP3 carbon bound to 4 other carbons |

HybRatio | 2D | CarbonTypes | hybridization ratio |

FCSP3 | 2D | CarbonTypes | The fraction of C atoms that are SP3 hybridized |

Xch-3d | 2D | Chi | 3-ordered Chi chain weighted by sigma electrons |

Xch-4d | 2D | Chi | 4-ordered Chi chain weighted by sigma electrons |

Xch-5d | 2D | Chi | 5-ordered Chi chain weighted by sigma electrons |

Xch-6d | 2D | Chi | 6-ordered Chi chain weighted by sigma electrons |

Xch-7d | 2D | Chi | 7-ordered Chi chain weighted by sigma electrons |

Xch-3dv | 2D | Chi | 3-ordered Chi chain weighted by valence electrons |

Xch-4dv | 2D | Chi | 4-ordered Chi chain weighted by valence electrons |

Xch-5dv | 2D | Chi | 5-ordered Chi chain weighted by valence electrons |

Xch-6dv | 2D | Chi | 6-ordered Chi chain weighted by valence electrons |

Xch-7dv | 2D | Chi | 7-ordered Chi chain weighted by valence electrons |

Xc-3d | 2D | Chi | 3-ordered Chi cluster weighted by sigma electrons |

Xc-4d | 2D | Chi | 4-ordered Chi cluster weighted by sigma electrons |

Xc-5d | 2D | Chi | 5-ordered Chi cluster weighted by sigma electrons |

Xc-6d | 2D | Chi | 6-ordered Chi cluster weighted by sigma electrons |

Xc-3dv | 2D | Chi | 3-ordered Chi cluster weighted by valence electrons |

Xc-4dv | 2D | Chi | 4-ordered Chi cluster weighted by valence electrons |

Xc-5dv | 2D | Chi | 5-ordered Chi cluster weighted by valence electrons |

Xc-6dv | 2D | Chi | 6-ordered Chi cluster weighted by valence electrons |

Xpc-4d | 2D | Chi | 4-ordered Chi path-cluster weighted by sigma electrons |

Xpc-5d | 2D | Chi | 5-ordered Chi path-cluster weighted by sigma electrons |

Xpc-6d | 2D | Chi | 6-ordered Chi path-cluster weighted by sigma electrons |

Xpc-4dv | 2D | Chi | 4-ordered Chi path-cluster weighted by valence electrons |

Xpc-5dv | 2D | Chi | 5-ordered Chi path-cluster weighted by valence electrons |

Xpc-6dv | 2D | Chi | 6-ordered Chi path-cluster weighted by valence electrons |

Xp-0d | 2D | Chi | 0-ordered Chi path weighted by sigma electrons |

Xp-1d | 2D | Chi | 1-ordered Chi path weighted by sigma electrons |

Xp-2d | 2D | Chi | 2-ordered Chi path weighted by sigma electrons |

Xp-3d | 2D | Chi | 3-ordered Chi path weighted by sigma electrons |

Xp-4d | 2D | Chi | 4-ordered Chi path weighted by sigma electrons |

Xp-5d | 2D | Chi | 5-ordered Chi path weighted by sigma electrons |

Xp-6d | 2D | Chi | 6-ordered Chi path weighted by sigma electrons |

Xp-7d | 2D | Chi | 7-ordered Chi path weighted by sigma electrons |

AXp-0d | 2D | Chi | 0-ordered averaged Chi path weighted by sigma electrons |

AXp-1d | 2D | Chi | 1-ordered averaged Chi path weighted by sigma electrons |

AXp-2d | 2D | Chi | 2-ordered averaged Chi path weighted by sigma electrons |

AXp-3d | 2D | Chi | 3-ordered averaged Chi path weighted by sigma electrons |

AXp-4d | 2D | Chi | 4-ordered averaged Chi path weighted by sigma electrons |

AXp-5d | 2D | Chi | 5-ordered averaged Chi path weighted by sigma electrons |

AXp-6d | 2D | Chi | 6-ordered averaged Chi path weighted by sigma electrons |

AXp-7d | 2D | Chi | 7-ordered averaged Chi path weighted by sigma electrons |

Xp-0dv | 2D | Chi | 0-ordered Chi path weighted by valence electrons |

Xp-1dv | 2D | Chi | 1-ordered Chi path weighted by valence electrons |

Xp-2dv | 2D | Chi | 2-ordered Chi path weighted by valence electrons |

Xp-3dv | 2D | Chi | 3-ordered Chi path weighted by valence electrons |

Xp-4dv | 2D | Chi | 4-ordered Chi path weighted by valence electrons |

Xp-5dv | 2D | Chi | 5-ordered Chi path weighted by valence electrons |

Xp-6dv | 2D | Chi | 6-ordered Chi path weighted by valence electrons |

Xp-7dv | 2D | Chi | 7-ordered Chi path weighted by valence electrons |

AXp-0dv | 2D | Chi | 0-ordered averaged Chi path weighted by valence electrons |

AXp-1dv | 2D | Chi | 1-ordered averaged Chi path weighted by valence electrons |

AXp-2dv | 2D | Chi | 2-ordered averaged Chi path weighted by valence electrons |

AXp-3dv | 2D | Chi | 3-ordered averaged Chi path weighted by valence electrons |

AXp-4dv | 2D | Chi | 4-ordered averaged Chi path weighted by valence electrons |

AXp-5dv | 2D | Chi | 5-ordered averaged Chi path weighted by valence electrons |

AXp-6dv | 2D | Chi | 6-ordered averaged Chi path weighted by valence electrons |

AXp-7dv | 2D | Chi | 7-ordered averaged Chi path weighted by valence electrons |

SZ | 2D | Constitutional | Sum of constitutional weighted by atomic number |

Sm | 2D | Constitutional | Sum of constitutional weighted by mass |

Sv | 2D | Constitutional | Sum of constitutional weighted by van der Waals volume |

Sse | 2D | Constitutional | Sum of constitutional weighted by Sanderson electronegativity |

Spe | 2D | Constitutional | Sum of constitutional weighted by Pauling electronegativity |

Sare | 2D | Constitutional | Sum of constitutional weighted by Allred-Rochow EN |

Sp | 2D | Constitutional | Sum of constitutional weighted by polarizability |

Si | 2D | Constitutional | Sum of constitutional weighted by ionization potential |

MZ | 2D | Constitutional | Mean of constitutional weighted by atomic number |

Mm | 2D | Constitutional | Mean of constitutional weighted by mass |

Mv | 2D | Constitutional | Mean of constitutional weighted by van der Waals volume |

Mse | 2D | Constitutional | Mean of constitutional weighted by Sanderson electronegativity |

Mpe | 2D | Constitutional | Mean of constitutional weighted by Pauling electronegativity |

Mare | 2D | Constitutional | Mean of constitutional weighted by Allred-Rochow EN |

Mp | 2D | Constitutional | Mean of constitutional weighted by polarizability |

Mi | 2D | Constitutional | Mean of constitutional weighted by ionization potential |

SpAbs_Dt | 2D | DetourMatrix | Graph energy from detourn matrix |

SpMax_Dt | 2D | DetourMatrix | Leading eigenvalue from detourn matrix |

SpDiam_Dt | 2D | DetourMatrix | Spectral diameter from detourn matrix |

SpAD_Dt | 2D | DetourMatrix | Spectral absolute deviation from detourn matrix |

SpMAD_Dt | 2D | DetourMatrix | Spectral mean absolute deviation from detourn matrix |

LogEE_Dt | 2D | DetourMatrix | Estrada-like index from detourn matrix |

SM1_Dt | 2D | DetourMatrix | Spectral moment from detourn matrix |

VE1_Dt | 2D | DetourMatrix | Coefficient sum of the last eigenvector from detourn matrix |

VE2_Dt | 2D | DetourMatrix | Average coefficient of the last eigenvector from detourn matrix |

VE3_Dt | 2D | DetourMatrix | Logarithmic coefficient sum of the last eigenvector from detourn matrix |

VR1_Dt | 2D | DetourMatrix | Randic-like eigenvector-based index from detourn matrix |

VR2_Dt | 2D | DetourMatrix | Normalized Randic-like eigenvector-based index from detourn matrix |

VR3_Dt | 2D | DetourMatrix | Logarithmic Randic-like eigenvector-based index from detourn matrix |

DetourIndex | 2D | DetourMatrix | Detour index |

SpAbs_D | 2D | DistanceMatrix | Graph energy from distance matrix |

SpMax_D | 2D | DistanceMatrix | Leading eigenvalue from distance matrix |

SpDiam_D | 2D | DistanceMatrix | Spectral diameter from distance matrix |

SpAD_D | 2D | DistanceMatrix | Spectral absolute deviation from distance matrix |

SpMAD_D | 2D | DistanceMatrix | Spectral mean absolute deviation from distance matrix |

LogEE_D | 2D | DistanceMatrix | Estrada-like index from distance matrix |

VE1_D | 2D | DistanceMatrix | Coefficient sum of the last eigenvector from distance matrix |

VE2_D | 2D | DistanceMatrix | Average coefficient of the last eigenvector from distance matrix |

VE3_D | 2D | DistanceMatrix | Logarithmic coefficient sum of the last eigenvector from distance matrix |

VR1_D | 2D | DistanceMatrix | Randic-like eigenvector-based index from distance matrix |

VR2_D | 2D | DistanceMatrix | Normalized Randic-like eigenvector-based index from distance matrix |

VR3_D | 2D | DistanceMatrix | Logarithmic Randic-like eigenvector-based index from distance matrix |

NsLi | 2D | EState | Number of Li atoms bonded via a single bond |

NssBe | 2D | EState | Number of Be atoms bonded via two single bonds |

NssssBe | 2D | EState | Number of Be atoms bonded via four single bonds |

NssBH | 2D | EState | Number of BH groups bonded via two single bonds |

NsssB | 2D | EState | Number of B atoms bonded via three single bonds |

NssssB | 2D | EState | Number of B atoms bonded via four single bonds |

NsCH3 | 2D | EState | Number of CH3 groups bonded via a single bond |

NdCH2 | 2D | EState | Number of CH2 groups bonded via a double bond |

NssCH2 | 2D | EState | Number of CH2 groups bonded via two single bonds |

NtCH | 2D | EState | Number of CH groups bonded via a triple bond |

NdsCH | 2D | EState | Number of CH groups bonded via a double bond and a single bond |

NaaCH | 2D | EState | Number of CH groups bonded via two aromatic bonds |

NsssCH | 2D | EState | Number of CH groups bonded via three single bonds |

NddC | 2D | EState | Number of C atoms bonded via two double bonds |

NtsC | 2D | EState | Number of C atoms bonded via a triple bond and a single bond |

NdssC | 2D | EState | Number of C atoms bonded via a double bond and two single bonds |

NaasC | 2D | EState | Number of C atoms bonded via two aromatic bonds and a single bond |

NaaaC | 2D | EState | Number of C atoms bonded via three aromatic bonds |

NssssC | 2D | EState | Number of C atoms bonded via four single bonds |

NsNH3 | 2D | EState | Number of NH3 groups bonded via a single bond |

NsNH2 | 2D | EState | Number of NH2 groups bonded via a single bond |

NssNH2 | 2D | EState | Number of NH2 groups bonded via two single bonds |

NdNH | 2D | EState | Number of NH groups bonded via a double bond |

NssNH | 2D | EState | Number of NH groups bonded via two single bonds |

NaaNH | 2D | EState | Number of NH groups bonded via two aromatic bonds |

NtN | 2D | EState | Number of N atoms bonded via a triple bond |

NsssNH | 2D | EState | Number of NH groups bonded via three single bonds |

NdsN | 2D | EState | Number of N atoms bonded via a double and a single bond |

NaaN | 2D | EState | Number of N atoms bonded via two aromatic bonds |

NsssN | 2D | EState | Number of N atoms bonded via three single bonds |

NddsN | 2D | EState | Number of N atoms bonded via two double bonds and one single bond |

NaasN | 2D | EState | Number of N atoms bonded via two aromatic bonds and one single bond |

NssssN | 2D | EState | Number of N atoms bonded via four single bonds |

NsOH | 2D | EState | Number of OH groups bonded via a single bond |

NdO | 2D | EState | Number of O atoms bonded via a double bond |

NssO | 2D | EState | Number of O atoms bonded via two single bonds |

NaaO | 2D | EState | Number of O atoms bonded via two aromatic bonds |

NsF | 2D | EState | Number of F atoms bonded via a single bond |

NsSiH3 | 2D | EState | Number of SiH3 groups bonded via a single bond |

NssSiH2 | 2D | EState | Number of SiH2 groups bonded via two single bonds |

NsssSiH | 2D | EState | Number of SiH groups bonded via three single bonds |

NssssSi | 2D | EState | Number of Si atoms bonded via four single bonds |

NsPH2 | 2D | EState | Number of PH2 groups bonded via a single bond |

NssPH | 2D | EState | Number of PH groups bonded via two single bonds |

NsssP | 2D | EState | Number of P atoms bonded via three single bonds |

NdsssP | 2D | EState | Number of P atoms bonded via a double bond and three single bonds |

NsssssP | 2D | EState | Number of P atoms bonded via five single bonds |

NsSH | 2D | EState | Number of SH groups bonded via a single bond |

NdS | 2D | EState | Number of S atoms bonded via a double bond |

NssS | 2D | EState | Number of S atoms bonded via two single bonds |

NaaS | 2D | EState | Number of S atoms bonded via two aromatic bonds |

NdssS | 2D | EState | Number of S atoms bonded via a double bond and two single bonds |

NddssS | 2D | EState | Number of S atoms bonded via two double bonds and two single bonds |

NsCl | 2D | EState | Number of Cl atoms bonded via a single bond |

NsGeH3 | 2D | EState | Number of GeH3 groups bonded via a single bond |

NssGeH2 | 2D | EState | Number of GeH2 groups bonded via two single bonds |

NsssGeH | 2D | EState | Number of GeH groups bonded via three single bonds |

NssssGe | 2D | EState | Number of Ge atoms bonded via four single bonds |

NsAsH2 | 2D | EState | Number of AsH2 groups bonded via a single bond |

NssAsH | 2D | EState | Number of AsH groups bonded via two single bonds |

NsssAs | 2D | EState | Number of As atoms bonded via three single bonds |

NsssdAs | 2D | EState | Number of As atoms bonded via three single bonds and one double bond |

NsssssAs | 2D | EState | Number of As atoms bonded via five single bonds |

NsSeH | 2D | EState | Number of SeH groups bonded via a single bond |

NdSe | 2D | EState | Number of Se atoms bonded via a double bond |

NssSe | 2D | EState | Number of Se atoms bonded via two single bonds |

NaaSe | 2D | EState | Number of Se atoms bonded via two aromatic bonds |

NdssSe | 2D | EState | Number of Se atoms bonded via a double bond and two single bonds |

NddssSe | 2D | EState | Number of Se atoms bonded via two double bonds and two single bonds |

NsBr | 2D | EState | Number of Br atoms bonded via a single bond |

NsSnH3 | 2D | EState | Number of SnH3 groups bonded via a single bond |

NssSnH2 | 2D | EState | Number of SnH2 groups bonded via two single bonds |

NsssSnH | 2D | EState | Number of SnH groups bonded via three single bonds |

NssssSn | 2D | EState | Number of Sn atoms bonded via four single bonds |

NsI | 2D | EState | Number of I atoms bonded via a single bond |

NsPbH3 | 2D | EState | Number of PbH3 groups bonded via a single bond |

NssPbH2 | 2D | EState | Number of PbH2 groups bonded via two single bonds |

NsssPbH | 2D | EState | Number of PbH groups bonded via three single bonds |

NssssPb | 2D | EState | Number of Pb atoms bonded via four single bonds |

SsLi | 2D | EState | Sum of the electrotopological state indices of Li atoms bonded via a single bond |

SssBe | 2D | EState | Sum of the electrotopological state indices of Be atoms bonded via two single bonds |

SssssBe | 2D | EState | Sum of the electrotopological state indices of Be atoms bonded via four single bonds |

SssBH | 2D | EState | Sum of the electrotopological state indices of BH groups bonded via two single bonds |

SsssB | 2D | EState | Sum of the electrotopological state indices of B atoms bonded via three single bonds |

SssssB | 2D | EState | Sum of the electrotopological state indices of B atoms bonded via four single bonds |

SsCH3 | 2D | EState | Sum of the electrotopological state indices of CH3 groups bonded via a single bond |

SdCH2 | 2D | EState | Sum of the electrotopological state indices of CH2 groups bonded via a double bond |

SssCH2 | 2D | EState | Sum of the electrotopological state indices of CH2 groups bonded via two single bonds |

StCH | 2D | EState | Sum of the electrotopological state indices of CH groups bonded via a triple bond |

SdsCH | 2D | EState | Sum of the electrotopological state indices of CH groups bonded via a double bond and a single bond |

SaaCH | 2D | EState | Sum of the electrotopological state indices of CH groups bonded via two aromatic bonds |

SsssCH | 2D | EState | Sum of the electrotopological state indices of CH groups bonded via three single bonds |

SddC | 2D | EState | Sum of the electrotopological state indices of C atoms bonded via two double bonds |

StsC | 2D | EState | Sum of the electrotopological state indices of C atoms bonded via a triple bond and a single bond |

SdssC | 2D | EState | Sum of the electrotopological state indices of C atoms bonded via a double bond and two single bonds |

SaasC | 2D | EState | Sum of the electrotopological state indices of C atoms bonded via two aromatic bonds and a single bond |

SaaaC | 2D | EState | Sum of the electrotopological state indices of C atoms bonded via three aromatic bonds |

SssssC | 2D | EState | Sum of the electrotopological state indices of C atoms bonded via four single bonds |

SsNH3 | 2D | EState | Sum of the electrotopological state indices of NH3 groups bonded via a single bond |

SsNH2 | 2D | EState | Sum of the electrotopological state indices of NH2 groups bonded via a single bond |

SssNH2 | 2D | EState | Sum of the electrotopological state indices of NH2 groups bonded via two single bonds |

SdNH | 2D | EState | Sum of the electrotopological state indices of NH groups bonded via a double bond |

SssNH | 2D | EState | Sum of the electrotopological state indices of NH groups bonded via two single bonds |

SaaNH | 2D | EState | Sum of the electrotopological state indices of NH groups bonded via two aromatic bonds |

StN | 2D | EState | Sum of the electrotopological state indices of N atoms bonded via a triple bond |

SsssNH | 2D | EState | Sum of the electrotopological state indices of NH groups bonded via three single bonds |

SdsN | 2D | EState | Sum of the electrotopological state indices of N atoms bonded via a double and a single bond |

SaaN | 2D | EState | Sum of the electrotopological state indices of N atoms bonded via two aromatic bonds |

SsssN | 2D | EState | Sum of the electrotopological state indices of N atoms bonded via three single bonds |

SddsN | 2D | EState | Sum of the electrotopological state indices of N atoms bonded via two double bonds and one single bond |

SaasN | 2D | EState | Sum of the electrotopological state indices of N atoms bonded via two aromatic bonds and one single bond |

SssssN | 2D | EState | Sum of the electrotopological state indices of N atoms bonded via four single bonds |

SsOH | 2D | EState | Sum of the electrotopological state indices of OH groups bonded via a single bond |

SdO | 2D | EState | Sum of the electrotopological state indices of O atoms bonded via a double bond |

SssO | 2D | EState | Sum of the electrotopological state indices of O atoms bonded via two single bonds |

SaaO | 2D | EState | Sum of the electrotopological state indices of O atoms bonded via two aromatic bonds |

SsF | 2D | EState | Sum of the electrotopological state indices of F atoms bonded via a single bond |

SsSiH3 | 2D | EState | Sum of the electrotopological state indices of SiH3 groups bonded via a single bond |

SssSiH2 | 2D | EState | Sum of the electrotopological state indices of SiH2 groups bonded via two single bonds |

SsssSiH | 2D | EState | Sum of the electrotopological state indices of SiH groups bonded via three single bonds |

SssssSi | 2D | EState | Sum of the electrotopological state indices of Si atoms bonded via four single bonds |

SsPH2 | 2D | EState | Sum of the electrotopological state indices of PH2 groups bonded via a single bond |

SssPH | 2D | EState | Sum of the electrotopological state indices of PH groups bonded via two single bonds |

SsssP | 2D | EState | Sum of the electrotopological state indices of P atoms bonded via three single bonds |

SdsssP | 2D | EState | Sum of the electrotopological state indices of P atoms bonded via a double bond and three single bonds |

SsssssP | 2D | EState | Sum of the electrotopological state indices of P atoms bonded via five single bonds |

SsSH | 2D | EState | Sum of the electrotopological state indices of SH groups bonded via a single bond |

SdS | 2D | EState | Sum of the electrotopological state indices of S atoms bonded via a double bond |

SssS | 2D | EState | Sum of the electrotopological state indices of S atoms bonded via two single bonds |

SaaS | 2D | EState | Sum of the electrotopological state indices of S atoms bonded via two aromatic bonds |

SdssS | 2D | EState | Sum of the electrotopological state indices of S atoms bonded via a double bond and two single bonds |

SddssS | 2D | EState | Sum of the electrotopological state indices of S atoms bonded via two double bonds and two single bonds |

SsCl | 2D | EState | Sum of the electrotopological state indices of Cl atoms bonded via a single bond |

SsGeH3 | 2D | EState | Sum of the electrotopological state indices of GeH3 groups bonded via a single bond |

SssGeH2 | 2D | EState | Sum of the electrotopological state indices of GeH2 groups bonded via two single bonds |

SsssGeH | 2D | EState | Sum of the electrotopological state indices of GeH groups bonded via three single bonds |

SssssGe | 2D | EState | Sum of the electrotopological state indices of Ge atoms bonded via four single bonds |

SsAsH2 | 2D | EState | Sum of the electrotopological state indices of AsH2 groups bonded via a single bond |

SssAsH | 2D | EState | Sum of the electrotopological state indices of AsH groups bonded via two single bonds |

SsssAs | 2D | EState | Sum of the electrotopological state indices of As atoms bonded via three single bonds |

SsssdAs | 2D | EState | Sum of the electrotopological state indices of As atoms bonded via three single bonds and one double bond |

SsssssAs | 2D | EState | Sum of the electrotopological state indices of As atoms bonded via five single bonds |

SsSeH | 2D | EState | Sum of the electrotopological state indices of SeH groups bonded via a single bond |

SdSe | 2D | EState | Sum of the electrotopological state indices of Se atoms bonded via a double bond |

SssSe | 2D | EState | Sum of the electrotopological state indices of Se atoms bonded via two single bonds |

SaaSe | 2D | EState | Sum of the electrotopological state indices of Se atoms bonded via two aromatic bonds |

SdssSe | 2D | EState | Sum of the electrotopological state indices of Se atoms bonded via a double bond and two single bonds |

SddssSe | 2D | EState | Sum of the electrotopological state indices of Se atoms bonded via two double bonds and two single bonds |

SsBr | 2D | EState | Sum of the electrotopological state indices of Br atoms bonded via a single bond |

SsSnH3 | 2D | EState | Sum of the electrotopological state indices of SnH3 groups bonded via a single bond |

SssSnH2 | 2D | EState | Sum of the electrotopological state indices of SnH2 groups bonded via two single bonds |

SsssSnH | 2D | EState | Sum of the electrotopological state indices of SnH groups bonded via three single bonds |

SssssSn | 2D | EState | Sum of the electrotopological state indices of Sn atoms bonded via four single bonds |

SsI | 2D | EState | Sum of the electrotopological state indices of I atoms bonded via a single bond |

SsPbH3 | 2D | EState | Sum of the electrotopological state indices of PbH3 groups bonded via a single bond |

SssPbH2 | 2D | EState | Sum of the electrotopological state indices of PbH2 groups bonded via two single bonds |

SsssPbH | 2D | EState | Sum of the electrotopological state indices of PbH groups bonded via three single bonds |

SssssPb | 2D | EState | Sum of the electrotopological state indices of Pb atoms bonded via four single bonds |

MAXsLi | 2D | EState | Max of the electrotopological state indices of Li atoms bonded via a single bond |

MAXssBe | 2D | EState | Max of the electrotopological state indices of Be atoms bonded via two single bonds |

MAXssssBe | 2D | EState | Max of the electrotopological state indices of Be atoms bonded via four single bonds |

MAXssBH | 2D | EState | Max of the electrotopological state indices of BH groups bonded via two single bonds |

MAXsssB | 2D | EState | Max of the electrotopological state indices of B atoms bonded via three single bonds |

MAXssssB | 2D | EState | Max of the electrotopological state indices of B atoms bonded via four single bonds |

MAXsCH3 | 2D | EState | Max of the electrotopological state indices of CH3 groups bonded via a single bond |

MAXdCH2 | 2D | EState | Max of the electrotopological state indices of CH2 groups bonded via a double bond |

MAXssCH2 | 2D | EState | Max of the electrotopological state indices of CH2 groups bonded via two single bonds |

MAXtCH | 2D | EState | Max of the electrotopological state indices of CH groups bonded via a triple bond |

MAXdsCH | 2D | EState | Max of the electrotopological state indices of CH groups bonded via a double bond and a single bond |

MAXaaCH | 2D | EState | Max of the electrotopological state indices of CH groups bonded via two aromatic bonds |

MAXsssCH | 2D | EState | Max of the electrotopological state indices of CH groups bonded via three single bonds |

MAXddC | 2D | EState | Max of the electrotopological state indices of C atoms bonded via two double bonds |

MAXtsC | 2D | EState | Max of the electrotopological state indices of C atoms bonded via a triple bond and a single bond |

MAXdssC | 2D | EState | Max of the electrotopological state indices of C atoms bonded via a double bond and two single bonds |

MAXaasC | 2D | EState | Max of the electrotopological state indices of C atoms bonded via two aromatic bonds and a single bond |

MAXaaaC | 2D | EState | Max of the electrotopological state indices of C atoms bonded via three aromatic bonds |

MAXssssC | 2D | EState | Max of the electrotopological state indices of C atoms bonded via four single bonds |

MAXsNH3 | 2D | EState | Max of the electrotopological state indices of NH3 groups bonded via a single bond |

MAXsNH2 | 2D | EState | Max of the electrotopological state indices of NH2 groups bonded via a single bond |

MAXssNH2 | 2D | EState | Max of the electrotopological state indices of NH2 groups bonded via two single bonds |

MAXdNH | 2D | EState | Max of the electrotopological state indices of NH groups bonded via a double bond |

MAXssNH | 2D | EState | Max of the electrotopological state indices of NH groups bonded via two single bonds |

MAXaaNH | 2D | EState | Max of the electrotopological state indices of NH groups bonded via two aromatic bonds |

MAXtN | 2D | EState | Max of the electrotopological state indices of N atoms bonded via a triple bond |

MAXsssNH | 2D | EState | Max of the electrotopological state indices of NH groups bonded via three single bonds |

MAXdsN | 2D | EState | Max of the electrotopological state indices of N atoms bonded via a double and a single bond |

MAXaaN | 2D | EState | Max of the electrotopological state indices of N atoms bonded via two aromatic bonds |

MAXsssN | 2D | EState | Max of the electrotopological state indices of N atoms bonded via three single bonds |

MAXddsN | 2D | EState | Max of the electrotopological state indices of N atoms bonded via two double bonds and one single bond |

MAXaasN | 2D | EState | Max of the electrotopological state indices of N atoms bonded via two aromatic bonds and one single bond |

MAXssssN | 2D | EState | Max of the electrotopological state indices of N atoms bonded via four single bonds |

MAXsOH | 2D | EState | Max of the electrotopological state indices of OH groups bonded via a single bond |

MAXdO | 2D | EState | Max of the electrotopological state indices of O atoms bonded via a double bond |

MAXssO | 2D | EState | Max of the electrotopological state indices of O atoms bonded via two single bonds |

MAXaaO | 2D | EState | Max of the electrotopological state indices of O atoms bonded via two aromatic bonds |

MAXsF | 2D | EState | Max of the electrotopological state indices of F atoms bonded via a single bond |

MAXsSiH3 | 2D | EState | Max of the electrotopological state indices of SiH3 groups bonded via a single bond |

MAXssSiH2 | 2D | EState | Max of the electrotopological state indices of SiH2 groups bonded via two single bonds |

MAXsssSiH | 2D | EState | Max of the electrotopological state indices of SiH groups bonded via three single bonds |

MAXssssSi | 2D | EState | Max of the electrotopological state indices of Si atoms bonded via four single bonds |

MAXsPH2 | 2D | EState | Max of the electrotopological state indices of PH2 groups bonded via a single bond |

MAXssPH | 2D | EState | Max of the electrotopological state indices of PH groups bonded via two single bonds |

MAXsssP | 2D | EState | Max of the electrotopological state indices of P atoms bonded via three single bonds |

MAXdsssP | 2D | EState | Max of the electrotopological state indices of P atoms bonded via a double bond and three single bonds |

MAXsssssP | 2D | EState | Max of the electrotopological state indices of P atoms bonded via five single bonds |

MAXsSH | 2D | EState | Max of the electrotopological state indices of SH groups bonded via a single bond |

MAXdS | 2D | EState | Max of the electrotopological state indices of S atoms bonded via a double bond |

MAXssS | 2D | EState | Max of the electrotopological state indices of S atoms bonded via two single bonds |

MAXaaS | 2D | EState | Max of the electrotopological state indices of S atoms bonded via two aromatic bonds |

MAXdssS | 2D | EState | Max of the electrotopological state indices of S atoms bonded via a double bond and two single bonds |

MAXddssS | 2D | EState | Max of the electrotopological state indices of S atoms bonded via two double bonds and two single bonds |

MAXsCl | 2D | EState | Max of the electrotopological state indices of Cl atoms bonded via a single bond |

MAXsGeH3 | 2D | EState | Max of the electrotopological state indices of GeH3 groups bonded via a single bond |

MAXssGeH2 | 2D | EState | Max of the electrotopological state indices of GeH2 groups bonded via two single bonds |

MAXsssGeH | 2D | EState | Max of the electrotopological state indices of GeH groups bonded via three single bonds |

MAXssssGe | 2D | EState | Max of the electrotopological state indices of Ge atoms bonded via four single bonds |

MAXsAsH2 | 2D | EState | Max of the electrotopological state indices of AsH2 groups bonded via a single bond |

MAXssAsH | 2D | EState | Max of the electrotopological state indices of AsH groups bonded via two single bonds |

MAXsssAs | 2D | EState | Max of the electrotopological state indices of As atoms bonded via three single bonds |

MAXsssdAs | 2D | EState | Max of the electrotopological state indices of As atoms bonded via three single bonds and one double bond |

MAXsssssAs | 2D | EState | Max of the electrotopological state indices of As atoms bonded via five single bonds |

MAXsSeH | 2D | EState | Max of the electrotopological state indices of SeH groups bonded via a single bond |

MAXdSe | 2D | EState | Max of the electrotopological state indices of Se atoms bonded via a double bond |

MAXssSe | 2D | EState | Max of the electrotopological state indices of Se atoms bonded via two single bonds |

MAXaaSe | 2D | EState | Max of the electrotopological state indices of Se atoms bonded via two aromatic bonds |

MAXdssSe | 2D | EState | Max of the electrotopological state indices of Se atoms bonded via a double bond and two single bonds |

MAXddssSe | 2D | EState | Max of the electrotopological state indices of Se atoms bonded via two double bonds and two single bonds |

MAXsBr | 2D | EState | Max of the electrotopological state indices of Br atoms bonded via a single bond |

MAXsSnH3 | 2D | EState | Max of the electrotopological state indices of SnH3 groups bonded via a single bond |

MAXssSnH2 | 2D | EState | Max of the electrotopological state indices of SnH2 groups bonded via two single bonds |

MAXsssSnH | 2D | EState | Max of the electrotopological state indices of SnH groups bonded via three single bonds |

MAXssssSn | 2D | EState | Max of the electrotopological state indices of Sn atoms bonded via four single bonds |

MAXsI | 2D | EState | Max of the electrotopological state indices of I atoms bonded via a single bond |

MAXsPbH3 | 2D | EState | Max of the electrotopological state indices of PbH3 groups bonded via a single bond |

MAXssPbH2 | 2D | EState | Max of the electrotopological state indices of PbH2 groups bonded via two single bonds |

MAXsssPbH | 2D | EState | Max of the electrotopological state indices of PbH groups bonded via three single bonds |

MAXssssPb | 2D | EState | Max of the electrotopological state indices of Pb atoms bonded via four single bonds |

MINsLi | 2D | EState | Min of the electrotopological state indices of Li atoms bonded via a single bond |

MINssBe | 2D | EState | Min of the electrotopological state indices of Be atoms bonded via two single bonds |

MINssssBe | 2D | EState | Min of the electrotopological state indices of Be atoms bonded via four single bonds |

MINssBH | 2D | EState | Min of the electrotopological state indices of BH groups bonded via two single bonds |

MINsssB | 2D | EState | Min of the electrotopological state indices of B atoms bonded via three single bonds |

MINssssB | 2D | EState | Min of the electrotopological state indices of B atoms bonded via four single bonds |

MINsCH3 | 2D | EState | Min of the electrotopological state indices of CH3 groups bonded via a single bond |

MINdCH2 | 2D | EState | Min of the electrotopological state indices of CH2 groups bonded via a double bond |

MINssCH2 | 2D | EState | Min of the electrotopological state indices of CH2 groups bonded via two single bonds |

MINtCH | 2D | EState | Min of the electrotopological state indices of CH groups bonded via a triple bond |

MINdsCH | 2D | EState | Min of the electrotopological state indices of CH groups bonded via a double bond and a single bond |

MINaaCH | 2D | EState | Min of the electrotopological state indices of CH groups bonded via two aromatic bonds |

MINsssCH | 2D | EState | Min of the electrotopological state indices of CH groups bonded via three single bonds |

MINddC | 2D | EState | Min of the electrotopological state indices of C atoms bonded via two double bonds |

MINtsC | 2D | EState | Min of the electrotopological state indices of C atoms bonded via a triple bond and a single bond |

MINdssC | 2D | EState | Min of the electrotopological state indices of C atoms bonded via a double bond and two single bonds |

MINaasC | 2D | EState | Min of the electrotopological state indices of C atoms bonded via two aromatic bonds and a single bond |

MINaaaC | 2D | EState | Min of the electrotopological state indices of C atoms bonded via three aromatic bonds |

MINssssC | 2D | EState | Min of the electrotopological state indices of C atoms bonded via four single bonds |

MINsNH3 | 2D | EState | Min of the electrotopological state indices of NH3 groups bonded via a single bond |

MINsNH2 | 2D | EState | Min of the electrotopological state indices of NH2 groups bonded via a single bond |

MINssNH2 | 2D | EState | Min of the electrotopological state indices of NH2 groups bonded via two single bonds |

MINdNH | 2D | EState | Min of the electrotopological state indices of NH groups bonded via a double bond |

MINssNH | 2D | EState | Min of the electrotopological state indices of NH groups bonded via two single bonds |

MINaaNH | 2D | EState | Min of the electrotopological state indices of NH groups bonded via two aromatic bonds |

MINtN | 2D | EState | Min of the electrotopological state indices of N atoms bonded via a triple bond |

MINsssNH | 2D | EState | Min of the electrotopological state indices of NH groups bonded via three single bonds |

MINdsN | 2D | EState | Min of the electrotopological state indices of N atoms bonded via a double and a single bond |

MINaaN | 2D | EState | Min of the electrotopological state indices of N atoms bonded via two aromatic bonds |

MINsssN | 2D | EState | Min of the electrotopological state indices of N atoms bonded via three single bonds |

MINddsN | 2D | EState | Min of the electrotopological state indices of N atoms bonded via two double bonds and one single bond |

MINaasN | 2D | EState | Min of the electrotopological state indices of N atoms bonded via two aromatic bonds and one single bond |

MINssssN | 2D | EState | Min of the electrotopological state indices of N atoms bonded via four single bonds |

MINsOH | 2D | EState | Min of the electrotopological state indices of OH groups bonded via a single bond |

MINdO | 2D | EState | Min of the electrotopological state indices of O atoms bonded via a double bond |

MINssO | 2D | EState | Min of the electrotopological state indices of O atoms bonded via two single bonds |

MINaaO | 2D | EState | Min of the electrotopological state indices of O atoms bonded via two aromatic bonds |

MINsF | 2D | EState | Min of the electrotopological state indices of F atoms bonded via a single bond |

MINsSiH3 | 2D | EState | Min of the electrotopological state indices of SiH3 groups bonded via a single bond |

MINssSiH2 | 2D | EState | Min of the electrotopological state indices of SiH2 groups bonded via two single bonds |

MINsssSiH | 2D | EState | Min of the electrotopological state indices of SiH groups bonded via three single bonds |

MINssssSi | 2D | EState | Min of the electrotopological state indices of Si atoms bonded via four single bonds |

MINsPH2 | 2D | EState | Min of the electrotopological state indices of PH2 groups bonded via a single bond |

MINssPH | 2D | EState | Min of the electrotopological state indices of PH groups bonded via two single bonds |

MINsssP | 2D | EState | Min of the electrotopological state indices of P atoms bonded via three single bonds |

MINdsssP | 2D | EState | Min of the electrotopological state indices of P atoms bonded via a double bond and three single bonds |

MINsssssP | 2D | EState | Min of the electrotopological state indices of P atoms bonded via five single bonds |

MINsSH | 2D | EState | Min of the electrotopological state indices of SH groups bonded via a single bond |

MINdS | 2D | EState | Min of the electrotopological state indices of S atoms bonded via a double bond |

MINssS | 2D | EState | Min of the electrotopological state indices of S atoms bonded via two single bonds |

MINaaS | 2D | EState | Min of the electrotopological state indices of S atoms bonded via two aromatic bonds |

MINdssS | 2D | EState | Min of the electrotopological state indices of S atoms bonded via a double bond and two single bonds |

MINddssS | 2D | EState | Min of the electrotopological state indices of S atoms bonded via two double bonds and two single bonds |

MINsCl | 2D | EState | Min of the electrotopological state indices of Cl atoms bonded via a single bond |

MINsGeH3 | 2D | EState | Min of the electrotopological state indices of GeH3 groups bonded via a single bond |

MINssGeH2 | 2D | EState | Min of the electrotopological state indices of GeH2 groups bonded via two single bonds |

MINsssGeH | 2D | EState | Min of the electrotopological state indices of GeH groups bonded via three single bonds |

MINssssGe | 2D | EState | Min of the electrotopological state indices of Ge atoms bonded via four single bonds |

MINsAsH2 | 2D | EState | Min of the electrotopological state indices of AsH2 groups bonded via a single bond |

MINssAsH | 2D | EState | Min of the electrotopological state indices of AsH groups bonded via two single bonds |

MINsssAs | 2D | EState | Min of the electrotopological state indices of As atoms bonded via three single bonds |

MINsssdAs | 2D | EState | Min of the electrotopological state indices of As atoms bonded via three single bonds and one double bond |

MINsssssAs | 2D | EState | Min of the electrotopological state indices of As atoms bonded via five single bonds |

MINsSeH | 2D | EState | Min of the electrotopological state indices of SeH groups bonded via a single bond |

MINdSe | 2D | EState | Min of the electrotopological state indices of Se atoms bonded via a double bond |

MINssSe | 2D | EState | Min of the electrotopological state indices of Se atoms bonded via two single bonds |

MINaaSe | 2D | EState | Min of the electrotopological state indices of Se atoms bonded via two aromatic bonds |

MINdssSe | 2D | EState | Min of the electrotopological state indices of Se atoms bonded via a double bond and two single bonds |

MINddssSe | 2D | EState | Min of the electrotopological state indices of Se atoms bonded via two double bonds and two single bonds |

MINsBr | 2D | EState | Min of the electrotopological state indices of Br atoms bonded via a single bond |

MINsSnH3 | 2D | EState | Min of the electrotopological state indices of SnH3 groups bonded via a single bond |

MINssSnH2 | 2D | EState | Min of the electrotopological state indices of SnH2 groups bonded via two single bonds |

MINsssSnH | 2D | EState | Min of the electrotopological state indices of SnH groups bonded via three single bonds |

MINssssSn | 2D | EState | Min of the electrotopological state indices of Sn atoms bonded via four single bonds |

MINsI | 2D | EState | Min of the electrotopological state indices of I atoms bonded via a single bond |

MINsPbH3 | 2D | EState | Min of the electrotopological state indices of PbH3 groups bonded via a single bond |

MINssPbH2 | 2D | EState | Min of the electrotopological state indices of PbH2 groups bonded via two single bonds |

MINsssPbH | 2D | EState | Min of the electrotopological state indices of PbH groups bonded via three single bonds |

MINssssPb | 2D | EState | Min of the electrotopological state indices of Pb atoms bonded via four single bonds |

ECIndex | 2D | EccentricConnectivityIndex | Eccentric connectivity index |

ETA_alpha | 2D | ExtendedTopochemicalAtom | Extended topochemical atom core count |

AETA_alpha | 2D | ExtendedTopochemicalAtom | Averaged ETA core count |

ETA_shape_p | 2D | ExtendedTopochemicalAtom | Extended topochemical atom shape index (type: p) |

ETA_shape_y | 2D | ExtendedTopochemicalAtom | Extended topochemical atom shape index (type: y) |

ETA_shape_x | 2D | ExtendedTopochemicalAtom | Extended topochemical atom shape index (type: x) |

ETA_beta | 2D | ExtendedTopochemicalAtom | Valence electron mobile count |

AETA_beta | 2D | ExtendedTopochemicalAtom | Averaged valence electron mobile count |

ETA_beta_s | 2D | ExtendedTopochemicalAtom | Sigma contribution to valence electron mobile count |

AETA_beta_s | 2D | ExtendedTopochemicalAtom | Averaged sigma contribution to valence electron mobile count |

ETA_beta_ns | 2D | ExtendedTopochemicalAtom | Nonsigma contribution to valence electron mobile count |

AETA_beta_ns | 2D | ExtendedTopochemicalAtom | Averaged nonsigma contribution to valence electron mobile count |

ETA_beta_ns_d | 2D | ExtendedTopochemicalAtom | Delta contribution to valence electron mobile count |

AETA_beta_ns_d | 2D | ExtendedTopochemicalAtom | Averaged delta contribution to valence electron mobile count |

ETA_eta | 2D | ExtendedTopochemicalAtom | Extended topochemical atom composite index for reference graph |

AETA_eta | 2D | ExtendedTopochemicalAtom | Averaged ETA composite index for reference graph |

ETA_eta_L | 2D | ExtendedTopochemicalAtom | Local ETA composite index for reference graph |

AETA_eta_L | 2D | ExtendedTopochemicalAtom | Averaged local ETA composite index for reference graph |

ETA_eta_R | 2D | ExtendedTopochemicalAtom | Extended topochemical atom composite index for reference graph |

AETA_eta_R | 2D | ExtendedTopochemicalAtom | Averaged ETA composite index for reference graph |

ETA_eta_RL | 2D | ExtendedTopochemicalAtom | Local ETA composite index for reference graph |

AETA_eta_RL | 2D | ExtendedTopochemicalAtom | Averaged local ETA composite index for reference graph |

ETA_eta_F | 2D | ExtendedTopochemicalAtom | Extended topochemical atom functionality index |

AETA_eta_F | 2D | ExtendedTopochemicalAtom | Averaged ETA functionality index |

ETA_eta_FL | 2D | ExtendedTopochemicalAtom | Local ETA functionality index |

AETA_eta_FL | 2D | ExtendedTopochemicalAtom | Averaged local ETA functionality index |

ETA_eta_B | 2D | ExtendedTopochemicalAtom | Extended topochemical atom branching index |

AETA_eta_B | 2D | ExtendedTopochemicalAtom | Averaged ETA branching index |

ETA_eta_BR | 2D | ExtendedTopochemicalAtom | Extended topochemical atom branching index (use ring count) |

AETA_eta_BR | 2D | ExtendedTopochemicalAtom | Averaged ETA branching index (use ring count) |

ETA_dAlpha_A | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta alpha (type: A) |

ETA_dAlpha_B | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta alpha (type: B) |

ETA_epsilon_1 | 2D | ExtendedTopochemicalAtom | Extended topochemical atom epsilon (type: 1) |

ETA_epsilon_2 | 2D | ExtendedTopochemicalAtom | Extended topochemical atom epsilon (type: 2) |

ETA_epsilon_3 | 2D | ExtendedTopochemicalAtom | Extended topochemical atom epsilon (type: 3) |

ETA_epsilon_4 | 2D | ExtendedTopochemicalAtom | Extended topochemical atom epsilon (type: 4) |

ETA_epsilon_5 | 2D | ExtendedTopochemicalAtom | Extended topochemical atom epsilon (type: 5) |

ETA_dEpsilon_A | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta epsilon (type: A) |

ETA_dEpsilon_B | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta epsilon (type: B) |

ETA_dEpsilon_C | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta epsilon (type: C) |

ETA_dEpsilon_D | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta epsilon (type: D) |

ETA_dBeta | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta beta |

AETA_dBeta | 2D | ExtendedTopochemicalAtom | Averaged ETA delta beta |

ETA_psi_1 | 2D | ExtendedTopochemicalAtom | Extended topochemical atom psi |

ETA_dPsi_A | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta psi (type: A) |

ETA_dPsi_B | 2D | ExtendedTopochemicalAtom | Extended topochemical atom delta psi (type: B) |

fragCpx | 2D | FragmentComplexity | Fragment complexity |

fMF | 2D | Framework | Molecular framework ratio |

GeomDiameter | 3D | GeometricalIndex | Geometric diameter |

GeomRadius | 3D | GeometricalIndex | Geometric radius |

GeomShapeIndex | 3D | GeometricalIndex | Geometrical shape index |

GeomPetitjeanIndex | 3D | GeometricalIndex | Geometric Petitjean index |

GRAV | 3D | GravitationalIndex | Heavy atom gravitational index |

GRAVH | 3D | GravitationalIndex | Gravitational index |

GRAVp | 3D | GravitationalIndex | Heavy atom pair gravitational index |

GRAVHp | 3D | GravitationalIndex | Pair gravitational index |

nHBAcc | 2D | HydrogenBond | Number of hydrogen bond acceptor |

nHBDon | 2D | HydrogenBond | Number of hydrogen bond donor |

IC0 | 2D | InformationContent | 0-ordered neighborhood information content |

IC1 | 2D | InformationContent | 1-ordered neighborhood information content |

IC2 | 2D | InformationContent | 2-ordered neighborhood information content |

IC3 | 2D | InformationContent | 3-ordered neighborhood information content |

IC4 | 2D | InformationContent | 4-ordered neighborhood information content |

IC5 | 2D | InformationContent | 5-ordered neighborhood information content |

TIC0 | 2D | InformationContent | 0-ordered neighborhood total information content |

TIC1 | 2D | InformationContent | 1-ordered neighborhood total information content |

TIC2 | 2D | InformationContent | 2-ordered neighborhood total information content |

TIC3 | 2D | InformationContent | 3-ordered neighborhood total information content |

TIC4 | 2D | InformationContent | 4-ordered neighborhood total information content |

TIC5 | 2D | InformationContent | 5-ordered neighborhood total information content |

SIC0 | 2D | InformationContent | 0-ordered structural information content |

SIC1 | 2D | InformationContent | 1-ordered structural information content |

SIC2 | 2D | InformationContent | 2-ordered structural information content |

SIC3 | 2D | InformationContent | 3-ordered structural information content |

SIC4 | 2D | InformationContent | 4-ordered structural information content |

SIC5 | 2D | InformationContent | 5-ordered structural information content |

BIC0 | 2D | InformationContent | 0-ordered bonding information content |

BIC1 | 2D | InformationContent | 1-ordered bonding information content |

BIC2 | 2D | InformationContent | 2-ordered bonding information content |

BIC3 | 2D | InformationContent | 3-ordered bonding information content |

BIC4 | 2D | InformationContent | 4-ordered bonding information content |

BIC5 | 2D | InformationContent | 5-ordered bonding information content |

CIC0 | 2D | InformationContent | 0-ordered complementary information content |

CIC1 | 2D | InformationContent | 1-ordered complementary information content |

CIC2 | 2D | InformationContent | 2-ordered complementary information content |

CIC3 | 2D | InformationContent | 3-ordered complementary information content |

CIC4 | 2D | InformationContent | 4-ordered complementary information content |

CIC5 | 2D | InformationContent | 5-ordered complementary information content |

MIC0 | 2D | InformationContent | 0-ordered modified information content |

MIC1 | 2D | InformationContent | 1-ordered modified information content |

MIC2 | 2D | InformationContent | 2-ordered modified information content |

MIC3 | 2D | InformationContent | 3-ordered modified information content |

MIC4 | 2D | InformationContent | 4-ordered modified information content |

MIC5 | 2D | InformationContent | 5-ordered modified information content |

ZMIC0 | 2D | InformationContent | 0-ordered Z-modified information content |

ZMIC1 | 2D | InformationContent | 1-ordered Z-modified information content |

ZMIC2 | 2D | InformationContent | 2-ordered Z-modified information content |

ZMIC3 | 2D | InformationContent | 3-ordered Z-modified information content |

ZMIC4 | 2D | InformationContent | 4-ordered Z-modified information content |

ZMIC5 | 2D | InformationContent | 5-ordered Z-modified information content |

Kier1 | 2D | KappaShapeIndex | Kappa shape index 1 |

Kier2 | 2D | KappaShapeIndex | Kappa shape index 2 |

Kier3 | 2D | KappaShapeIndex | Kappa shape index 3 |

Lipinski | 2D | Lipinski | Lipinski rule of five |

GhoseFilter | 2D | Lipinski | Ghose filter |

FilterItLogS | 2D | LogS | Filter-itā¢ LogS |

VMcGowan | 2D | McGowanVolume | McGowan volume |

Mor01 | 3D | MoRSE | 3D-MoRSE (distance = 1) |

Mor02 | 3D | MoRSE | 3D-MoRSE (distance = 2) |

Mor03 | 3D | MoRSE | 3D-MoRSE (distance = 3) |

Mor04 | 3D | MoRSE | 3D-MoRSE (distance = 4) |

Mor05 | 3D | MoRSE | 3D-MoRSE (distance = 5) |

Mor06 | 3D | MoRSE | 3D-MoRSE (distance = 6) |

Mor07 | 3D | MoRSE | 3D-MoRSE (distance = 7) |

Mor08 | 3D | MoRSE | 3D-MoRSE (distance = 8) |

Mor09 | 3D | MoRSE | 3D-MoRSE (distance = 9) |

Mor10 | 3D | MoRSE | 3D-MoRSE (distance = 10) |

Mor11 | 3D | MoRSE | 3D-MoRSE (distance = 11) |

Mor12 | 3D | MoRSE | 3D-MoRSE (distance = 12) |

Mor13 | 3D | MoRSE | 3D-MoRSE (distance = 13) |

Mor14 | 3D | MoRSE | 3D-MoRSE (distance = 14) |

Mor15 | 3D | MoRSE | 3D-MoRSE (distance = 15) |

Mor16 | 3D | MoRSE | 3D-MoRSE (distance = 16) |

Mor17 | 3D | MoRSE | 3D-MoRSE (distance = 17) |

Mor18 | 3D | MoRSE | 3D-MoRSE (distance = 18) |

Mor19 | 3D | MoRSE | 3D-MoRSE (distance = 19) |

Mor20 | 3D | MoRSE | 3D-MoRSE (distance = 20) |

Mor21 | 3D | MoRSE | 3D-MoRSE (distance = 21) |

Mor22 | 3D | MoRSE | 3D-MoRSE (distance = 22) |

Mor23 | 3D | MoRSE | 3D-MoRSE (distance = 23) |

Mor24 | 3D | MoRSE | 3D-MoRSE (distance = 24) |

Mor25 | 3D | MoRSE | 3D-MoRSE (distance = 25) |

Mor26 | 3D | MoRSE | 3D-MoRSE (distance = 26) |

Mor27 | 3D | MoRSE | 3D-MoRSE (distance = 27) |

Mor28 | 3D | MoRSE | 3D-MoRSE (distance = 28) |

Mor29 | 3D | MoRSE | 3D-MoRSE (distance = 29) |

Mor30 | 3D | MoRSE | 3D-MoRSE (distance = 30) |

Mor31 | 3D | MoRSE | 3D-MoRSE (distance = 31) |

Mor32 | 3D | MoRSE | 3D-MoRSE (distance = 32) |

Mor01m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 1) |

Mor02m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 2) |

Mor03m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 3) |

Mor04m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 4) |

Mor05m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 5) |

Mor06m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 6) |

Mor07m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 7) |

Mor08m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 8) |

Mor09m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 9) |

Mor10m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 10) |

Mor11m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 11) |

Mor12m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 12) |

Mor13m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 13) |

Mor14m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 14) |

Mor15m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 15) |

Mor16m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 16) |

Mor17m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 17) |

Mor18m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 18) |

Mor19m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 19) |

Mor20m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 20) |

Mor21m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 21) |

Mor22m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 22) |

Mor23m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 23) |

Mor24m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 24) |

Mor25m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 25) |

Mor26m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 26) |

Mor27m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 27) |

Mor28m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 28) |

Mor29m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 29) |

Mor30m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 30) |

Mor31m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 31) |

Mor32m | 3D | MoRSE | 3D-MoRSE weighted by mass (distance = 32) |

Mor01v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 1) |

Mor02v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 2) |

Mor03v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 3) |

Mor04v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 4) |

Mor05v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 5) |

Mor06v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 6) |

Mor07v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 7) |

Mor08v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 8) |

Mor09v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 9) |

Mor10v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 10) |

Mor11v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 11) |

Mor12v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 12) |

Mor13v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 13) |

Mor14v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 14) |

Mor15v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 15) |

Mor16v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 16) |

Mor17v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 17) |

Mor18v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 18) |

Mor19v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 19) |

Mor20v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 20) |

Mor21v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 21) |

Mor22v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 22) |

Mor23v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 23) |

Mor24v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 24) |

Mor25v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 25) |

Mor26v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 26) |

Mor27v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 27) |

Mor28v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 28) |

Mor29v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 29) |

Mor30v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 30) |

Mor31v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 31) |

Mor32v | 3D | MoRSE | 3D-MoRSE weighted by van der Waals volume (distance = 32) |

Mor01se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 1) |

Mor02se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 2) |

Mor03se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 3) |

Mor04se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 4) |

Mor05se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 5) |

Mor06se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 6) |

Mor07se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 7) |

Mor08se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 8) |

Mor09se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 9) |

Mor10se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 10) |

Mor11se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 11) |

Mor12se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 12) |

Mor13se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 13) |

Mor14se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 14) |

Mor15se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 15) |

Mor16se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 16) |

Mor17se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 17) |

Mor18se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 18) |

Mor19se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 19) |

Mor20se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 20) |

Mor21se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 21) |

Mor22se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 22) |

Mor23se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 23) |

Mor24se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 24) |

Mor25se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 25) |

Mor26se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 26) |

Mor27se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 27) |

Mor28se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 28) |

Mor29se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 29) |

Mor30se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 30) |

Mor31se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 31) |

Mor32se | 3D | MoRSE | 3D-MoRSE weighted by Sanderson electronegativity (distance = 32) |

Mor01p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 1) |

Mor02p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 2) |

Mor03p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 3) |

Mor04p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 4) |

Mor05p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 5) |

Mor06p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 6) |

Mor07p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 7) |

Mor08p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 8) |

Mor09p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 9) |

Mor10p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 10) |

Mor11p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 11) |

Mor12p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 12) |

Mor13p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 13) |

Mor14p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 14) |

Mor15p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 15) |

Mor16p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 16) |

Mor17p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 17) |

Mor18p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 18) |

Mor19p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 19) |

Mor20p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 20) |

Mor21p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 21) |

Mor22p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 22) |

Mor23p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 23) |

Mor24p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 24) |

Mor25p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 25) |

Mor26p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 26) |

Mor27p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 27) |

Mor28p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 28) |

Mor29p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 29) |

Mor30p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 30) |

Mor31p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 31) |

Mor32p | 3D | MoRSE | 3D-MoRSE weighted by polarizability (distance = 32) |

LabuteASA | 2D | MoeType | Labuteās Approximate Surface Area |

PEOE_VSA1 | 2D | MoeType | MOE Charge VSA Descriptor 1 (-inf < x < -0.30) |

PEOE_VSA2 | 2D | MoeType | MOE Charge VSA Descriptor 2 (-0.30 <= x < -0.25) |

PEOE_VSA3 | 2D | MoeType | MOE Charge VSA Descriptor 3 (-0.25 <= x < -0.20) |

PEOE_VSA4 | 2D | MoeType | MOE Charge VSA Descriptor 4 (-0.20 <= x < -0.15) |

PEOE_VSA5 | 2D | MoeType | MOE Charge VSA Descriptor 5 (-0.15 <= x < -0.10) |

PEOE_VSA6 | 2D | MoeType | MOE Charge VSA Descriptor 6 (-0.10 <= x < -0.05) |

PEOE_VSA7 | 2D | MoeType | MOE Charge VSA Descriptor 7 (-0.05 <= x < 0.00) |

PEOE_VSA8 | 2D | MoeType | MOE Charge VSA Descriptor 8 ( 0.00 <= x < 0.05) |

PEOE_VSA9 | 2D | MoeType | MOE Charge VSA Descriptor 9 ( 0.05 <= x < 0.10) |

PEOE_VSA10 | 2D | MoeType | MOE Charge VSA Descriptor 10 ( 0.10 <= x < 0.15) |

PEOE_VSA11 | 2D | MoeType | MOE Charge VSA Descriptor 11 ( 0.15 <= x < 0.20) |

PEOE_VSA12 | 2D | MoeType | MOE Charge VSA Descriptor 12 ( 0.20 <= x < 0.25) |

PEOE_VSA13 | 2D | MoeType | MOE Charge VSA Descriptor 13 ( 0.25 <= x < 0.30) |

SMR_VSA1 | 2D | MoeType | MOE MR VSA Descriptor 1 (-inf < x < 1.29) |

SMR_VSA2 | 2D | MoeType | MOE MR VSA Descriptor 2 ( 1.29 <= x < 1.82) |

SMR_VSA3 | 2D | MoeType | MOE MR VSA Descriptor 3 ( 1.82 <= x < 2.24) |

SMR_VSA4 | 2D | MoeType | MOE MR VSA Descriptor 4 ( 2.24 <= x < 2.45) |

SMR_VSA5 | 2D | MoeType | MOE MR VSA Descriptor 5 ( 2.45 <= x < 2.75) |

SMR_VSA6 | 2D | MoeType | MOE MR VSA Descriptor 6 ( 2.75 <= x < 3.05) |

SMR_VSA7 | 2D | MoeType | MOE MR VSA Descriptor 7 ( 3.05 <= x < 3.63) |

SMR_VSA8 | 2D | MoeType | MOE MR VSA Descriptor 8 ( 3.63 <= x < 3.80) |

SMR_VSA9 | 2D | MoeType | MOE MR VSA Descriptor 9 ( 3.80 <= x < 4.00) |

SlogP_VSA1 | 2D | MoeType | MOE logP VSA Descriptor 1 (-inf < x < -0.40) |

SlogP_VSA2 | 2D | MoeType | MOE logP VSA Descriptor 2 (-0.40 <= x < -0.20) |

SlogP_VSA3 | 2D | MoeType | MOE logP VSA Descriptor 3 (-0.20 <= x < 0.00) |

SlogP_VSA4 | 2D | MoeType | MOE logP VSA Descriptor 4 ( 0.00 <= x < 0.10) |

SlogP_VSA5 | 2D | MoeType | MOE logP VSA Descriptor 5 ( 0.10 <= x < 0.15) |

SlogP_VSA6 | 2D | MoeType | MOE logP VSA Descriptor 6 ( 0.15 <= x < 0.20) |

SlogP_VSA7 | 2D | MoeType | MOE logP VSA Descriptor 7 ( 0.20 <= x < 0.25) |

SlogP_VSA8 | 2D | MoeType | MOE logP VSA Descriptor 8 ( 0.25 <= x < 0.30) |

SlogP_VSA9 | 2D | MoeType | MOE logP VSA Descriptor 9 ( 0.30 <= x < 0.40) |

SlogP_VSA10 | 2D | MoeType | MOE logP VSA Descriptor 10 ( 0.40 <= x < 0.50) |

SlogP_VSA11 | 2D | MoeType | MOE logP VSA Descriptor 11 ( 0.50 <= x < 0.60) |

EState_VSA1 | 2D | MoeType | EState VSA Descriptor 1 (-inf < x < -0.39) |

EState_VSA2 | 2D | MoeType | EState VSA Descriptor 2 ( -0.39 <= x < 0.29) |

EState_VSA3 | 2D | MoeType | EState VSA Descriptor 3 ( 0.29 <= x < 0.72) |

EState_VSA4 | 2D | MoeType | EState VSA Descriptor 4 ( 0.72 <= x < 1.17) |

EState_VSA5 | 2D | MoeType | EState VSA Descriptor 5 ( 1.17 <= x < 1.54) |

EState_VSA6 | 2D | MoeType | EState VSA Descriptor 6 ( 1.54 <= x < 1.81) |

EState_VSA7 | 2D | MoeType | EState VSA Descriptor 7 ( 1.81 <= x < 2.05) |

EState_VSA8 | 2D | MoeType | EState VSA Descriptor 8 ( 2.05 <= x < 4.69) |

EState_VSA9 | 2D | MoeType | EState VSA Descriptor 9 ( 4.69 <= x < 9.17) |

EState_VSA10 | 2D | MoeType | EState VSA Descriptor 10 ( 9.17 <= x < 15.00) |

VSA_EState1 | 2D | MoeType | VSA EState Descriptor 1 (-inf < x < 4.78) |

VSA_EState2 | 2D | MoeType | VSA EState Descriptor 2 ( 4.78 <= x < 5.00) |

VSA_EState3 | 2D | MoeType | VSA EState Descriptor 3 ( 5.00 <= x < 5.41) |

VSA_EState4 | 2D | MoeType | VSA EState Descriptor 4 ( 5.41 <= x < 5.74) |

VSA_EState5 | 2D | MoeType | VSA EState Descriptor 5 ( 5.74 <= x < 6.00) |

VSA_EState6 | 2D | MoeType | VSA EState Descriptor 6 ( 6.00 <= x < 6.07) |

VSA_EState7 | 2D | MoeType | VSA EState Descriptor 7 ( 6.07 <= x < 6.45) |

VSA_EState8 | 2D | MoeType | VSA EState Descriptor 8 ( 6.45 <= x < 7.00) |

VSA_EState9 | 2D | MoeType | VSA EState Descriptor 9 ( 7.00 <= x < 11.00) |

MDEC-11 | 2D | MolecularDistanceEdge | Molecular distance edge between primary C and primary C |

MDEC-12 | 2D | MolecularDistanceEdge | Molecular distance edge between primary C and secondary C |

MDEC-13 | 2D | MolecularDistanceEdge | Molecular distance edge between primary C and tertiary C |

MDEC-14 | 2D | MolecularDistanceEdge | Molecular distance edge between primary C and quaternary C |

MDEC-22 | 2D | MolecularDistanceEdge | Molecular distance edge between secondary C and secondary C |

MDEC-23 | 2D | MolecularDistanceEdge | Molecular distance edge between secondary C and tertiary C |

MDEC-24 | 2D | MolecularDistanceEdge | Molecular distance edge between secondary C and quaternary C |

MDEC-33 | 2D | MolecularDistanceEdge | Molecular distance edge between tertiary C and tertiary C |

MDEC-34 | 2D | MolecularDistanceEdge | Molecular distance edge between tertiary C and quaternary C |

MDEC-44 | 2D | MolecularDistanceEdge | Molecular distance edge between quaternary C and quaternary C |

MDEO-11 | 2D | MolecularDistanceEdge | Molecular distance edge between primary O and primary O |

MDEO-12 | 2D | MolecularDistanceEdge | Molecular distance edge between primary O and secondary O |

MDEO-22 | 2D | MolecularDistanceEdge | Molecular distance edge between secondary O and secondary O |

MDEN-11 | 2D | MolecularDistanceEdge | Molecular distance edge between primary N and primary N |

MDEN-12 | 2D | MolecularDistanceEdge | Molecular distance edge between primary N and secondary N |

MDEN-13 | 2D | MolecularDistanceEdge | Molecular distance edge between primary N and tertiary N |

MDEN-22 | 2D | MolecularDistanceEdge | Molecular distance edge between secondary N and secondary N |

MDEN-23 | 2D | MolecularDistanceEdge | Molecular distance edge between secondary N and tertiary N |

MDEN-33 | 2D | MolecularDistanceEdge | Molecular distance edge between tertiary N and tertiary N |

MID | 2D | MolecularId | Molecular ID |

AMID | 2D | MolecularId | Averaged molecular ID |

MID_h | 2D | MolecularId | Molecular ID on H atoms |

AMID_h | 2D | MolecularId | Averaged molecular ID on H atoms |

MID_C | 2D | MolecularId | Molecular ID on C atoms |

AMID_C | 2D | MolecularId | Averaged molecular ID on C atoms |

MID_N | 2D | MolecularId | Molecular ID on N atoms |

AMID_N | 2D | MolecularId | Averaged molecular ID on N atoms |

MID_O | 2D | MolecularId | Molecular ID on O atoms |

AMID_O | 2D | MolecularId | Averaged molecular ID on O atoms |

MID_X | 2D | MolecularId | Molecular ID on halogen atoms |

AMID_X | 2D | MolecularId | Averaged molecular ID on halogen atoms |

MOMI-X | 3D | MomentOfInertia | Moment of inertia (axis = X) |

MOMI-Y | 3D | MomentOfInertia | Moment of inertia (axis = Y) |

MOMI-Z | 3D | MomentOfInertia | Moment of inertia (axis = Z) |

PBF | 3D | PBF | Plane of best fit |

MPC2 | 2D | PathCount | 2-ordered path count |

MPC3 | 2D | PathCount | 3-ordered path count |

MPC4 | 2D | PathCount | 4-ordered path count |

MPC5 | 2D | PathCount | 5-ordered path count |

MPC6 | 2D | PathCount | 6-ordered path count |

MPC7 | 2D | PathCount | 7-ordered path count |

MPC8 | 2D | PathCount | 8-ordered path count |

MPC9 | 2D | PathCount | 9-ordered path count |

MPC10 | 2D | PathCount | 10-ordered path count |

TMPC10 | 2D | PathCount | 10-ordered total path count |

piPC1 | 2D | PathCount | 1-ordered pi-path count (log scale) |

piPC2 | 2D | PathCount | 2-ordered pi-path count (log scale) |

piPC3 | 2D | PathCount | 3-ordered pi-path count (log scale) |

piPC4 | 2D | PathCount | 4-ordered pi-path count (log scale) |

piPC5 | 2D | PathCount | 5-ordered pi-path count (log scale) |

piPC6 | 2D | PathCount | 6-ordered pi-path count (log scale) |

piPC7 | 2D | PathCount | 7-ordered pi-path count (log scale) |

piPC8 | 2D | PathCount | 8-ordered pi-path count (log scale) |

piPC9 | 2D | PathCount | 9-ordered pi-path count (log scale) |

piPC10 | 2D | PathCount | 10-ordered pi-path count (log scale) |

TpiPC10 | 2D | PathCount | 10-ordered total pi-path count (log scale) |

apol | 2D | Polarizability | Atomic polarizability |

bpol | 2D | Polarizability | Bond polarizability |

nRing | 2D | RingCount | Ring count |

n3Ring | 2D | RingCount | 3-membered ring count |

n4Ring | 2D | RingCount | 4-membered ring count |

n5Ring | 2D | RingCount | 5-membered ring count |

n6Ring | 2D | RingCount | 6-membered ring count |

n7Ring | 2D | RingCount | 7-membered ring count |

n8Ring | 2D | RingCount | 8-membered ring count |

n9Ring | 2D | RingCount | 9-membered ring count |

n10Ring | 2D | RingCount | 10-membered ring count |

n11Ring | 2D | RingCount | 11-membered ring count |

n12Ring | 2D | RingCount | 12-membered ring count |

nG12Ring | 2D | RingCount | 12-or-greater-membered ring count |

nHRing | 2D | RingCount | hetero ring count |

n3HRing | 2D | RingCount | 3-membered hetero ring count |

n4HRing | 2D | RingCount | 4-membered hetero ring count |

n5HRing | 2D | RingCount | 5-membered hetero ring count |

n6HRing | 2D | RingCount | 6-membered hetero ring count |

n7HRing | 2D | RingCount | 7-membered hetero ring count |

n8HRing | 2D | RingCount | 8-membered hetero ring count |

n9HRing | 2D | RingCount | 9-membered hetero ring count |

n10HRing | 2D | RingCount | 10-membered hetero ring count |

n11HRing | 2D | RingCount | 11-membered hetero ring count |

n12HRing | 2D | RingCount | 12-membered hetero ring count |

nG12HRing | 2D | RingCount | 12-or-greater-membered hetero ring count |

naRing | 2D | RingCount | Aromatic ring count |

n3aRing | 2D | RingCount | 3-membered aromatic ring count |

n4aRing | 2D | RingCount | 4-membered aromatic ring count |

n5aRing | 2D | RingCount | 5-membered aromatic ring count |

n6aRing | 2D | RingCount | 6-membered aromatic ring count |

n7aRing | 2D | RingCount | 7-membered aromatic ring count |

n8aRing | 2D | RingCount | 8-membered aromatic ring count |

n9aRing | 2D | RingCount | 9-membered aromatic ring count |

n10aRing | 2D | RingCount | 10-membered aromatic ring count |

n11aRing | 2D | RingCount | 11-membered aromatic ring count |

n12aRing | 2D | RingCount | 12-membered aromatic ring count |

nG12aRing | 2D | RingCount | 12-or-greater-membered aromatic ring count |

naHRing | 2D | RingCount | Aromatic hetero ring count |

n3aHRing | 2D | RingCount | 3-membered aromatic hetero ring count |

n4aHRing | 2D | RingCount | 4-membered aromatic hetero ring count |

n5aHRing | 2D | RingCount | 5-membered aromatic hetero ring count |

n6aHRing | 2D | RingCount | 6-membered aromatic hetero ring count |

n7aHRing | 2D | RingCount | 7-membered aromatic hetero ring count |

n8aHRing | 2D | RingCount | 8-membered aromatic hetero ring count |

n9aHRing | 2D | RingCount | 9-membered aromatic hetero ring count |

n10aHRing | 2D | RingCount | 10-membered aromatic hetero ring count |

n11aHRing | 2D | RingCount | 11-membered aromatic hetero ring count |

n12aHRing | 2D | RingCount | 12-membered aromatic hetero ring count |

nG12aHRing | 2D | RingCount | 12-or-greater-membered aromatic hetero ring count |

nARing | 2D | RingCount | Aliphatic ring count |

n3ARing | 2D | RingCount | 3-membered aliphatic ring count |

n4ARing | 2D | RingCount | 4-membered aliphatic ring count |

n5ARing | 2D | RingCount | 5-membered aliphatic ring count |

n6ARing | 2D | RingCount | 6-membered aliphatic ring count |

n7ARing | 2D | RingCount | 7-membered aliphatic ring count |

n8ARing | 2D | RingCount | 8-membered aliphatic ring count |

n9ARing | 2D | RingCount | 9-membered aliphatic ring count |

n10ARing | 2D | RingCount | 10-membered aliphatic ring count |

n11ARing | 2D | RingCount | 11-membered aliphatic ring count |

n12ARing | 2D | RingCount | 12-membered aliphatic ring count |

nG12ARing | 2D | RingCount | 12-or-greater-membered aliphatic ring count |

nAHRing | 2D | RingCount | Aliphatic hetero ring count |

n3AHRing | 2D | RingCount | 3-membered aliphatic hetero ring count |

n4AHRing | 2D | RingCount | 4-membered aliphatic hetero ring count |

n5AHRing | 2D | RingCount | 5-membered aliphatic hetero ring count |

n6AHRing | 2D | RingCount | 6-membered aliphatic hetero ring count |

n7AHRing | 2D | RingCount | 7-membered aliphatic hetero ring count |

n8AHRing | 2D | RingCount | 8-membered aliphatic hetero ring count |

n9AHRing | 2D | RingCount | 9-membered aliphatic hetero ring count |

n10AHRing | 2D | RingCount | 10-membered aliphatic hetero ring count |

n11AHRing | 2D | RingCount | 11-membered aliphatic hetero ring count |

n12AHRing | 2D | RingCount | 12-membered aliphatic hetero ring count |

nG12AHRing | 2D | RingCount | 12-or-greater-membered aliphatic hetero ring count |

nFRing | 2D | RingCount | Fused ring count |

n4FRing | 2D | RingCount | 4-membered fused ring count |

n5FRing | 2D | RingCount | 5-membered fused ring count |

n6FRing | 2D | RingCount | 6-membered fused ring count |

n7FRing | 2D | RingCount | 7-membered fused ring count |

n8FRing | 2D | RingCount | 8-membered fused ring count |

n9FRing | 2D | RingCount | 9-membered fused ring count |

n10FRing | 2D | RingCount | 10-membered fused ring count |

n11FRing | 2D | RingCount | 11-membered fused ring count |

n12FRing | 2D | RingCount | 12-membered fused ring count |

nG12FRing | 2D | RingCount | 12-or-greater-membered fused ring count |

nFHRing | 2D | RingCount | Fused hetero ring count |

n4FHRing | 2D | RingCount | 4-membered fused hetero ring count |

n5FHRing | 2D | RingCount | 5-membered fused hetero ring count |

n6FHRing | 2D | RingCount | 6-membered fused hetero ring count |

n7FHRing | 2D | RingCount | 7-membered fused hetero ring count |

n8FHRing | 2D | RingCount | 8-membered fused hetero ring count |

n9FHRing | 2D | RingCount | 9-membered fused hetero ring count |

n10FHRing | 2D | RingCount | 10-membered fused hetero ring count |

n11FHRing | 2D | RingCount | 11-membered fused hetero ring count |

n12FHRing | 2D | RingCount | 12-membered fused hetero ring count |

nG12FHRing | 2D | RingCount | 12-or-greater-membered fused hetero ring count |

nFaRing | 2D | RingCount | Aromatic fused ring count |

n4FaRing | 2D | RingCount | 4-membered aromatic fused ring count |

n5FaRing | 2D | RingCount | 5-membered aromatic fused ring count |

n6FaRing | 2D | RingCount | 6-membered aromatic fused ring count |

n7FaRing | 2D | RingCount | 7-membered aromatic fused ring count |

n8FaRing | 2D | RingCount | 8-membered aromatic fused ring count |

n9FaRing | 2D | RingCount | 9-membered aromatic fused ring count |

n10FaRing | 2D | RingCount | 10-membered aromatic fused ring count |

n11FaRing | 2D | RingCount | 11-membered aromatic fused ring count |

n12FaRing | 2D | RingCount | 12-membered aromatic fused ring count |

nG12FaRing | 2D | RingCount | 12-or-greater-membered aromatic fused ring count |

nFaHRing | 2D | RingCount | Aromatic fused hetero ring count |

n4FaHRing | 2D | RingCount | 4-membered aromatic fused hetero ring count |

n5FaHRing | 2D | RingCount | 5-membered aromatic fused hetero ring count |

n6FaHRing | 2D | RingCount | 6-membered aromatic fused hetero ring count |

n7FaHRing | 2D | RingCount | 7-membered aromatic fused hetero ring count |

n8FaHRing | 2D | RingCount | 8-membered aromatic fused hetero ring count |

n9FaHRing | 2D | RingCount | 9-membered aromatic fused hetero ring count |

n10FaHRing | 2D | RingCount | 10-membered aromatic fused hetero ring count |

n11FaHRing | 2D | RingCount | 11-membered aromatic fused hetero ring count |

n12FaHRing | 2D | RingCount | 12-membered aromatic fused hetero ring count |

nG12FaHRing | 2D | RingCount | 12-or-greater-membered aromatic fused hetero ring count |

nFARing | 2D | RingCount | Aliphatic fused ring count |

n4FARing | 2D | RingCount | 4-membered aliphatic fused ring count |

n5FARing | 2D | RingCount | 5-membered aliphatic fused ring count |

n6FARing | 2D | RingCount | 6-membered aliphatic fused ring count |

n7FARing | 2D | RingCount | 7-membered aliphatic fused ring count |

n8FARing | 2D | RingCount | 8-membered aliphatic fused ring count |

n9FARing | 2D | RingCount | 9-membered aliphatic fused ring count |

n10FARing | 2D | RingCount | 10-membered aliphatic fused ring count |

n11FARing | 2D | RingCount | 11-membered aliphatic fused ring count |

n12FARing | 2D | RingCount | 12-membered aliphatic fused ring count |

nG12FARing | 2D | RingCount | 12-or-greater-membered aliphatic fused ring count |

nFAHRing | 2D | RingCount | Aliphatic fused hetero ring count |

n4FAHRing | 2D | RingCount | 4-membered aliphatic fused hetero ring count |

n5FAHRing | 2D | RingCount | 5-membered aliphatic fused hetero ring count |

n6FAHRing | 2D | RingCount | 6-membered aliphatic fused hetero ring count |

n7FAHRing | 2D | RingCount | 7-membered aliphatic fused hetero ring count |

n8FAHRing | 2D | RingCount | 8-membered aliphatic fused hetero ring count |

n9FAHRing | 2D | RingCount | 9-membered aliphatic fused hetero ring count |

n10FAHRing | 2D | RingCount | 10-membered aliphatic fused hetero ring count |

n11FAHRing | 2D | RingCount | 11-membered aliphatic fused hetero ring count |

n12FAHRing | 2D | RingCount | 12-membered aliphatic fused hetero ring count |

nG12FAHRing | 2D | RingCount | 12-or-greater-membered aliphatic fused hetero ring count |

nRot | 2D | RotatableBond | Rotatable bonds count |

RotRatio | 2D | RotatableBond | Rotatable bonds ratio |

SLogP | 2D | SLogP | Wildman-Crippen LogP |

SMR | 2D | SLogP | Wildman-Crippen MR |

TopoPSA(NO) | 2D | TopoPSA | Topological polar surface area (use only nitrogen and oxygen) |

TopoPSA | 2D | TopoPSA | Topological polar surface area |

GGI1 | 2D | TopologicalCharge | 1-ordered raw topological charge |

GGI2 | 2D | TopologicalCharge | 2-ordered raw topological charge |

GGI3 | 2D | TopologicalCharge | 3-ordered raw topological charge |

GGI4 | 2D | TopologicalCharge | 4-ordered raw topological charge |

GGI5 | 2D | TopologicalCharge | 5-ordered raw topological charge |

GGI6 | 2D | TopologicalCharge | 6-ordered raw topological charge |

GGI7 | 2D | TopologicalCharge | 7-ordered raw topological charge |

GGI8 | 2D | TopologicalCharge | 8-ordered raw topological charge |

GGI9 | 2D | TopologicalCharge | 9-ordered raw topological charge |

GGI10 | 2D | TopologicalCharge | 10-ordered raw topological charge |

JGI1 | 2D | TopologicalCharge | 1-ordered mean topological charge |

JGI2 | 2D | TopologicalCharge | 2-ordered mean topological charge |

JGI3 | 2D | TopologicalCharge | 3-ordered mean topological charge |

JGI4 | 2D | TopologicalCharge | 4-ordered mean topological charge |

JGI5 | 2D | TopologicalCharge | 5-ordered mean topological charge |

JGI6 | 2D | TopologicalCharge | 6-ordered mean topological charge |

JGI7 | 2D | TopologicalCharge | 7-ordered mean topological charge |

JGI8 | 2D | TopologicalCharge | 8-ordered mean topological charge |

JGI9 | 2D | TopologicalCharge | 9-ordered mean topological charge |

JGI10 | 2D | TopologicalCharge | 10-ordered mean topological charge |

JGT10 | 2D | TopologicalCharge | 10-ordered global topological charge |

Diameter | 2D | TopologicalIndex | Topological diameter |

Radius | 2D | TopologicalIndex | Topological radius |

TopoShapeIndex | 2D | TopologicalIndex | Topological shape index |

PetitjeanIndex | 2D | TopologicalIndex | Petitjean index |

Vabc | 2D | VdwVolumeABC | ABC van der waals volume |

VAdjMat | 2D | VertexAdjacencyInformation | VR2 of adjacency matrix |

MWC01 | 2D | WalkCount | Walk count (leg-1) |

MWC02 | 2D | WalkCount | Walk count (leg-2) |

MWC03 | 2D | WalkCount | Walk count (leg-3) |

MWC04 | 2D | WalkCount | Walk count (leg-4) |

MWC05 | 2D | WalkCount | Walk count (leg-5) |

MWC06 | 2D | WalkCount | Walk count (leg-6) |

MWC07 | 2D | WalkCount | Walk count (leg-7) |

MWC08 | 2D | WalkCount | Walk count (leg-8) |

MWC09 | 2D | WalkCount | Walk count (leg-9) |

MWC10 | 2D | WalkCount | Walk count (leg-10) |

TMWC10 | 2D | WalkCount | Total walk count (leg-10) |

SRW02 | 2D | WalkCount | Walk count (leg-2, only self returning walk) |

SRW03 | 2D | WalkCount | Walk count (leg-3, only self returning walk) |

SRW04 | 2D | WalkCount | Walk count (leg-4, only self returning walk) |

SRW05 | 2D | WalkCount | Walk count (leg-5, only self returning walk) |

SRW06 | 2D | WalkCount | Walk count (leg-6, only self returning walk) |

SRW07 | 2D | WalkCount | Walk count (leg-7, only self returning walk) |

SRW08 | 2D | WalkCount | Walk count (leg-8, only self returning walk) |

SRW09 | 2D | WalkCount | Walk count (leg-9, only self returning walk) |

SRW10 | 2D | WalkCount | Walk count (leg-10, only self returning walk) |

TSRW10 | 2D | WalkCount | Total walk count (leg-10, only self returning walk) |

MW | 2D | Weight | Exact molecular weight |

AMW | 2D | Weight | Averaged exact molecular weight |

WPath | 2D | WienerIndex | Wiener index |

WPol | 2D | WienerIndex | Wiener polarity index |

Zagreb1 | 2D | ZagrebIndex | Zagreb index (version 1) |

Zagreb2 | 2D | ZagrebIndex | Zagreb index (version 2) |

mZagreb1 | 2D | ZagrebIndex | Modified Zagreb index (version 1) |

mZagreb2 | 2D | ZagrebIndex | Modified Zagreb index (version 2) |

Fukui Indices (Positive) | 3D | xTB | Relative reactivity towards nucleophiles |

Fukui Indices (Zero) | 3D | xTB | Relative reactivity towards radicals |

Fukui Indices (Negative) | 3D | xTB | Relative reactivity towards electrophiles |

Atomic Charges | 3D | xTB | Partial atomic charges derived from the electronic structure |

Global Electrophilicity Index | 3D | xTB | The capacity of an electrophile to promote a soft (covalent) reaction |