Table 2.
Molecular descriptors used in this study.
Symbol | Description | Type |
---|---|---|
AATS8v | Average Broto-Moreau autocorrelation - lag 8/weighted by van der Waals volumes | 2D autocorrelation |
AATS3i | Average Broto-Moreau autocorrelation - lag 3/weighted by first ionization potential | 2D autocorrelation |
MATS6c | Moran autocorrelation - lag 6/weighted by charges | 2D autocorrelation |
GATS8e | Geary autocorrelation - lag 8/weighted by Sanderson electronegativities | 2D autocorrelation |
BCUTp-1h | nlow highest polarizability weighted BCUTS | 2D-Matrix based descriptor |
ZMIC2 | Z-modified information content index (neighborhood symmetry of 2-order) | Information content |
VE1_D | Coefficient sum of the last eigenvector from Barysz matrix/weighted by atomic number | 2D-Matrix based descriptor |