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Statistical results of the CoMFA/CoMSIA models.
| PLS Statistics | CoMFA | CoMSIA |
|---|---|---|
| Optimum number of components (ONC) | 3 | 4 |
| q2 | 0.624 | 0.732 |
| r2 | 0.961 | 0.973 |
| SEE | 0.145 | 0.124 |
| F | 123.938 | 127.654 |
| Field contribution% | ||
| Steric | 49.5 | 22.3 |
| Electrostatic | 50.5 | 10.2 |
| Hydrophobic | 23.0 | |
| Hydrogen bond donor | 22.7 | |
| Hydrogen bond acceptor | 21.8 |
