Table 2.
Descriptor | Descriptor Name | Type | Degree of contribution | percentage of contribution |
---|---|---|---|---|
ALogP | Ghose-Crippen LogKow | 2D | 0.513 | 13.3 |
AATS7i | Average Broto-Moreau autocorrelation - lag 7/weighted by first ionization potential | 2D | 0.500 | 13.0 |
ATSC3p | Centered Broto-Moreau autocorrelation - lag 3/weighted by polarizabilities | 2D | 0.631 | 16.4 |
IC2 | Information content index (neighborhood symmetry of 2-order) | 2D | 0.383 | 10.0 |
GGI10 | Topological charge index of order 10 | 2D | -1.061 | 27.6 |
RDF75u | Radial distribution function - 075/unweighted | 3D | 0.756 | 19.7 |