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Statistical results of CoMFA and the best CoMSIA models
| CoMFA | CoMSIA (Model 6) | |
|---|---|---|
| aQ2/ONC | 0.687/5 | 0.743/3 |
| bR2ncv | 0.787 | 0.972 |
| cSEE | 0.246 | 0.094 |
| dR2pred | 0.731 | 0.713 |
| F value | 181.420 | 230.975 |
| Field contribution | ||
| Steric | 55.4 | 19.7 |
| Electrostatic | 44.6 | 52.0 |
| H-bond acceptor | – | 28.3 |
aCross-validated correlation coefficient
bNon cross-validated correlation coefficient
cStandard errors of estimate
dPredicted correlation coefficient for the test set
