Table 3.
Statistical results of CoMFA and CoMSIA models.
| Models | Descriptors | Statistical parameters | |||||
|---|---|---|---|---|---|---|---|
| q 2 | r 2 | N | SEE | F | Field contribution (%) | ||
| CoMFA | S/E | 0.694 | 0.894 | 2 | 0.929 | 46.3 | 59.2/40.8 |
| CoMSIA | S/E/H/D/A | 0.683 | 0.977 | 4 | 0.479 | 94.8 | 10.3/25.6/19.9/31.7/9.5 |
S: steric field; E: electrostatic field; H: hydrophobic field; D: donor; A: acceptor; q 2: cross-validated correlation coefficient; r 2: non-cross-validated correlation coefficient; N: optimal number of components; SEE: standard error of estimate; F: F test.