TABLE 3.
Summary of modeling parameters from CoMFA analysis
| Vmax Model | CLint Model | |
|---|---|---|
| q2a | 0.738 | 0.561 |
| SEPb | 0.383 | 0.561 |
| r2c | 0.976 | 0.938 |
| rpredd | 0.735 | 0.630 |
| S.E.e | 0.116 | 0.229 |
| Componentsf | 6 | 4 |
| Fg | 108.836 | 68.436 |
| Pr2 = 0h | 0.000 | 0.000 |
| Fraction | ||
| Steric | 0.395 | 0.450 |
| Electrostatic | 0.605 | 0.550 |
Cross-validated correlation coefficient after the leave-one-out procedure.
Cross-validated standard error of prediction.
Non-cross-validated correlation coefficient.
Correlation coefficient for test set predictions.
Standard error of estimate.
Optimum number of components.
F-test value.
Probability of obtaining the observed F ratio value by chance alone.