Table 5.
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.