Feature group | Features | Number of descriptors |
---|---|---|
Constitution | Molecular constitutional descriptors | 30 |
Topology | Topological descriptors | 35 |
Connectivity | Molecular connectivity indices | 44 |
E-state | E-state descriptors | 237 |
Bask | Bask descriptors | 21 |
Burden | Burden descriptors | 64 |
Kappa | Kappa shape descriptors | 7 |
Autocorrelation | Moreau–Broto autocorrelation | 32 |
Moran autocorrelation | 32 | |
Geary autocorrelation | 32 | |
Charge | Charge descriptors | 25 |
Property | Molecular property | 6 |
MOE-type | MOE-type descriptors | 60 |
Pharmacophore | Chemically advanced template search (CATS) | 150 |