Table 3.
UFS selected descriptors with R2max = 0.90.
| Descriptors | Name | Type |
|---|---|---|
| IDM | Mean information content on the distance magnitude | Topological |
| MATS6p | Moran autocorrelation-lag6/weighted by atomic poloarizabilities | 2D-autocorrelations |
| Mp | Mean atomic polarizability (scaled on carbon atom) | Constitutional |
| E1e | 1st component accessibility directional WHIM index/weighted by atomic Sanderson electronegativities | WHIM |
| MATS6e | Moran autocorrelation-lag6/weighted by atomic Sanderson electronegativities | 2D-autocorrelations |
| Mor30m | 3D-MoRSE-signal 30/weighted by atomic masses | 3D-MoRSE |
| AROM | Aromaticity | Aromatic indices |
| E3u | 3rd component accessibility directional WHIM index/unweighted | WHIM |
| Mor22v | 3D-MoRSE-signal 22/weighted by atomic volume | 3D-MoRSE |
| Mor28e | 3D-MoRSE-signal 28/weighted by atomic Sanderson electronegativities | 3D-MoRSE |
| Mor29m | 3D-MoRSE-signal 29/weighted by atomic masses | 3D-MoRSE |
| DISPm | d COMMA2 value/weighted by atomic masses | Geometrical |
| PJI3 | 3D petijean shape index | Geometrical |
| G3s | 3rd component accessibility directional WHIM index/weighted by atomic electrotopological states | WHIM |
| MATS5e | Moran autocorrelation-lag5/weighted by atomic Sanderson electronegativities | 2D-autocorrelations |
| PJI2 | 2D petijean shape index | Topological |
| SIC4 | Structural information content (neighbourhood symmetry of 4-order) | Topological |
| E2p | 3rd component accessibility directional WHIM index/weighted by atomic poloarizabilities | WHIM |
| Mor12e | 3D-MoRSE-signal 12/weighted by atomic Sanderson electronegativities | 3D-MoRSE |
| IVDE | Mean information content vertex degree equality | Topological |
| SPI | Superpendentic index | Topological |
| HATS7p | Leaverage-weighted autocorrelation of lag 7/weighted by atomic poloarizabilities | GETAWAY |