Table 8 Twelve Dragon descriptors selected for modeling.
Dragon Descriptor's code | Symbol | Definition |
|---|---|---|
DRA0107 | PW5 | Path/walk 5 - Randic shape index |
DRA0123 | D/Dr06 | Distance/detour ring index of order 6 |
DRA0341 | MATS2p | Moran autocorrelation - lag 2/weighted by atomic polarizabilities |
DRA0391 | EEig10x | Eigenvalue 10 from edge adj. matrix weighted by edge degrees |
DRA0451 | ESpm11x | Spectral moment 11 from edge adj. matrix weighted by edge degrees |
DRA0464 | ESpm09d | Spectral moment 09 from edge adj. matrix weighted by dipole moments |
DRA0551 | GGI2 | Topological charge index of order 2 |
DRA0565 | JGI6 | Mean topological charge index of order6 |
DRA0670 | nRNNOx | Number of N-nitroso groups (aliphatic) |
DRA0695 | nPO4 | Number of phosphates/thiophosphates |
DRA0791 | N-067 | Al2-NH |
DRA0802 | N-078 | Ar-N = X/X-N = X |