[I]in vivo | |||||||
---|---|---|---|---|---|---|---|
[I] = Csys | [I] = fu × Csys | [I] = Chep,inlet(est) | [I] = fu × Chep,inlet(est) | ||||
CYP1A2, CYP2C9, CYP2C19, and CYP2D6 | |||||||
Geometric mean-fold error (All DDI) | 1.33 | 1.39 | 1.52 | 1.29 | |||
Geometric mean-fold error (DDI ≥2× only) | 1.90 | 2.28 | 1.75 | 1.70 | |||
RMSE (All DDI) | 1.48 | 1.70 | 3.47 | 1.22 | |||
RMSE (DDI ≥2× only) | 3.13 | 3.69 | 7.18 | 2.62 | |||
Identification of true positives (DDI ≥2×) | 9 of 14 | 6 of 14 | 11 of 14 | 9 of 14 | |||
Identification of true negatives (DDI <2×) | 53 of 54 | 54 of 54 | 39 of 54 | 51 of 54 | |||
Overall success rate (%)a | 91 | 88 | 74 | 88 | |||
CYP3A | |||||||
Geometric mean-fold error (All DDI) | 1.44 | 1.54 | 1.67 | 1.44 | |||
Geometric mean-fold error (DDI ≥2× only) | 1.91 | 2.25 | 2.36 | 1.87 | |||
RMSE (All DDI) | 7.25 | 3.21 | 9.57 | 2.57 | |||
RMSE (DDI ≥ 2X only) | 11.74 | 5.18 | 15.16 | 4.13 | |||
Identification of true positives (DDI ≥2×) | 12 of 16 | 9 of 16 | 14 of 16 | 11 of 16 | |||
Identification of true negatives (DDI <2×) | 26 of 26 | 26 of 26 | 23 of 26 | 25 of 26 | |||
Overall success rate (%)a | 90 | 83 | 88 | 86 | |||
All P450s | |||||||
Geometric mean-fold error (All DDI) | 1.37 | 1.44 | 1.58 | 1.35 | |||
Geometric mean-fold error (DDI ≥2× only) | 1.90 | 2.26 | 2.05 | 1.79 | |||
RMSE (All DDI) | 4.63 | 2.39 | 6.51 | 1.86 | |||
RMSE (DDI ≥2× only) | 8.83 | 4.55 | 12.11 | 3.51 |
↵ a The term “Overall Success Rate” refers to the percentage of times that predictions of drug interactions from in vitro data are properly categorized as greater than or <2-fold