Parameter | CoMFA | CoMSIA |
---|---|---|
q 2 | 0.076 | 0.463 |
N | 1 | 4 |
Standard error of prediction | 0.950 | 0.827 |
r 2 | 0.306 | 0.895 |
Standard error of the estimate | 0.823 | 0.365 |
F-test value | 7.512 | 27.750 |
Field contributions | ||
Steric | 0.464 | 0.044 |
Electrostatic | 0.536 | 0.317 |
Hydrophobic | 0.150 | |
Hydrogen bond donor | 0.237 | |
Hydrogen bond acceptor |
| 0.252 |