Prediction accuracy for pharmacokinetic parameters of the 15 model compounds using the hybrid, Dedrick approach, and PBPK model
| Compound | Exponent | Fold Error | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|
| CL | Vss | CL | Vss | t1/2 | |||||||
| Dedrick | Hybrid | PBPK | Dedrick | Hybrid | PBPK | Dedrick | Hybrid | PBPK | |||
| Antipyrine | 0.972 | 1.042 | 22.84 | 1.27 | 2.21 | 1.48 | 1.51 | 1.01 | 14.75 | 1.95 | 2.19 |
| Caffeine | 1.062 | 1.019 | 1.07 | 1.23 | 3.35 | 1.52 | 1.51 | 2.37 | 1.68 | 1.92 | 7.91 |
| Diazepam | 0.555 | 1.112 | 18.66 | 1.75 | 2.32 | 6.79 | 1.46 | 1.11 | 2.11 | 2.11 | 2.26 |
| Diltiazem | 1.516 | 1.014 | 1.44 | 3.55 | 2.75 | 1.09 | 1.04 | 1.51 | 1.21 | 3.10 | 4.38 |
| Epiroprim | 1.036 | 0.948 | 1.60 | 1.19 | 1.25 | 2.79 | 2.36 | 10.01 | 2.46 | 2.39 | 12.47 |
| Felodipine | 0.823 | 0.659 | 1.07 | 1.53 | 1.47 | 2.52 | 2.31 | 3.68 | 2.05 | 1.10 | 3.08 |
| Midazolam | 1.256 | 0.911 | 3.63 | 2.78 | 1.45 | 1.39 | 1.13 | 2.52 | 2.59 | 1.86 | 2.91 |
| Nicardipine | 1.242 | 0.996 | 5.74 | 2.85 | 3.84 | 1.71 | 1.71 | 6.24 | 3.40 | 1.69 | 3.55 |
| Nitrendipine | 1.437 | 1.382 | 1.26 | 2.73 | 1.55 | 1.13 | 1.13 | 1.31 | 1.29 | 2.80 | 1.67 |
| Oxazepam | 0.633 | 1.032 | 1.24 | 2.21 | 1.37 | 1.79 | 1.42 | 1.98 | 1.43 | 2.92 | 1.58 |
| Propafenone | 0.851 | 0.988 | 1.25 | 1.27 | 4.92 | 1.02 | 1.14 | 1.12 | 1.24 | 1.47 | 3.60 |
| Propranolol | 1.063 | 0.697 | 2.68 | 1.21 | 1.65 | 2.54 | 2.54 | 1.19 | 5.97 | 1.83 | 1.68 |
| Theophylline | 1.034 | 0.957 | 2.11 | 1.35 | 2.93 | 1.12 | 1.06 | 1.57 | 1.87 | 1.27 | 1.78 |
| Tolcapone | 0.856 | 1.217 | 1.36 | 1.60 | 1.29 | 3.94 | 3.15 | 1.11 | 4.72 | 5.25 | 1.99 |
| Verapamil | 0.768 | 1.047 | 1.58 | 1.48 | 2.50 | 1.17 | 1.16 | 1.66 | 1.17 | 2.74 | 5.71 |
| afe | 2.42 | 1.74 | 2.12 | 1.81 | 1.54 | 1.95 | 2.36 | 2.13 | 3.09 | ||