Table 5.
Precision of each of the in vitro approaches (as determined by the root mean square error (RMSE)) at predicting the DDI compared with that of the clinical value
Precision | ||||
---|---|---|---|---|
n | Bias Mean error | Root mean square error (RMSE) | Median absolute error (MAE) | |
All observations | ||||
Chemical inhibitors | 16 | −1.07 | 4.59 | 3.97 |
Gentest Vmax ISEF | 20 | 0.23 | 2.38 | 1.32 |
PanVera CLint ISEF | 20 | 1.79 | 4.91 | 1.51 |
PanVera Vmax ISEF | 20 | 2.71 | 7.78 | 1.75 |
Compounds with free fraction ≥0.1 | ||||
Chemical inhibitors | 11 | −2.79 | 4.82 | −2.47 |
Gentest Vmax ISEF | 14 | −0.62 | 2.10 | −0.34 |
PanVera CLint ISEF | 14 | 0.30 | 3.35 | 0.23 |
PanVera Vmax ISEF | 14 | 0.22 | 2.48 | 0.58 |
Compounds with free fraction <0.1 | ||||
Chemical inhibitors | 5 | 3.66 | 3.89 | 4.25 |
Gentest Vmax ISEF | 6 | 2.20 | 2.92 | 2.46 |
PanVera CLint ISEF | 6 | 5.25 | 7.36 | 3.34 |
PanVera Vmax ISEF | 6 | 8.53 | 13.70 | 4.39 |
Highly bound compounds (fu < 0.1) had fumic determined using equilibrium dialysis.