3D-QSAR models | Q2 | R2 | SEE | N | R2test |
---|---|---|---|---|---|
CoMFA_E + S | 0.643 | 0.962 | 0.0779 | 5 | 0.6318 |
CoMSIA_E + D | 0.701 | 0.873 | 0.1338 | 3 | 0.6154 |
CoMSIA_S + E + D | 0.702 | 0.877 | 0.1318 | 3 | 0.6535 |
CoMSIA_E + D + H | 0.699 | 0.879 | 0.1306 | 3 | 0.6070 |
CoMSIA_S + E + D + H | 0.700 | 0.882 | 0.1288 | 3 | 0.6610 |