TABLE 1.
Detailed results of CoMFA models after the application of Region Focusing.
| Statistical parameters | CoMFA(6) | CoMFA(7) | CoMFA(8) | CoMFA(9) | CoMFA(10) | |
| q2 | 0.711 | 0.563 | 0.686 | 0.642 | 0.644 | |
| NOC | 8 | 7 | 5 | 5 | 5 | |
| r2 | 0.963 | 0.901 | 0.883 | 0.891 | 0.889 | |
| SEE | 0.210 | 0.341 | 0.363 | 0.351 | 0.353 | |
| F | 153.743 | 62.154 | 75.174 | 81.338 | 79.968 | |
| Field contributions | ||||||
| Tripos standard | S | 0.610 | 0.330 | |||
| E | 0.390 | 0.207 | ||||
| Indicator | S | 0.801 | 0.368 | |||
| E | 0.199 | 0.091 | ||||
| H-bond | A | 0.868 | 0.361 | 0.428 | ||
| D | 0.132 | 0.102 | 0.112 | |||
q2, the cross-validated correlation; NOC, the optimum number of components; r2, the Non-cross-validated correlation; SEE, the standard error of estimation; F, F-test value; S, steric; E, electronic; A, acceptor; D, donor.