Comparison of predictions applying reversible and time-dependent inhibition mechanism (with or without the correction for intestinal interaction)
Reversible Mechanism | Time-Dependent Mechanism | Time-Dependent Mechanism with FG′/FG | |
|---|---|---|---|
| False-negative | 26 | 7 | 3 |
| False-positive | 0 | 4 | 4 |
| Within 2-fold of in vivo | 11 | 33 | 26 |
| Overpredicted | 0 | 2 | 11 |
| afe | 2.4 | 1 | 1.6 |
| rmse | 11 | 0.47 | 15 |