Table 2.
Brief definitions of the ten descriptors selected for neural network modeling
| No. | Descriptor | Definition |
|---|---|---|
| 1 | RDF010m | Radial Distribution Function-1.0 / weighted by atomic masses. |
| 2 | C-028 | R—CR—X. |
| 3 | Mor30u | 3D–MoRSE-signal 30 / unweighted. |
| 4 | HATS5m | Leverage-weighted autocorrelation of lag 5 / weighted by atomic masses. |
| 5 | GATS6e | Geary autocorrelation – lag 6 / weighted by atomic Sanderson electronegativities. |
| 6 | MATS1p | Moran autocorrelation – lag 1 / weighted by atomic polarizabilities. |
| 7 | E2s | 2nd component accessibility directional WHIM index / weighted by atomic electrotopological states. |
| 8 | Mor15u | 3D–MoRSE – signal 15 / unweighted. |
| 9 | R4v+ | R maximal autocorrelation of lag 4 / weighted by atomic van der Waals volumes. |
| 10 | IC1 | Information content index (neighborhood symmetry of 1-order). |