Statistical analysis comparing predictions of DDI magnitude (AUC ratio), using various estimates of [I] in vivo, with the AUC ratio observed
| Assumptions of [I] | R2 | AD | RMSE | % Within 2-Fold of Observed AUC Ratio |
|---|---|---|---|---|
| Cmax | 0.52 | 1.1 | 3.7 | 70 |
| Hep_in | 0.58 | 2.2 | 4.0 | 46 |
| Liver | 0.58 | 2.7 | 4.3 | 41 |
| Cmax + gut | 0.13 | 3.9 | 9.1 | 43 |
| Hep_in + gut | 0.16 | 5.7 | 10 | 35 |
| Liver + gut | 0.16 | 6.4 | 11 | 28 |
| fu.Cmax | 0.93 | −1.1 | 3.6 | 87 |
| fu.hep_in | 0.94 | −0.68 | 2.5 | 89 |
| fu.Liver | 0.96 | −0.45 | 2.0 | 96 |
| fu.(Cmax + gut) | 0.75 | −0.77 | 3.4 | 96 |
| fu.(hep_in + gut) | 0.81 | −0.22 | 2.6 | 91 |
| fu.(liver + gut) | 0.84 | 0.10 | 2.2 | 91 |
Cmax, maximal systemic concentration; Hep_in, hepatic inlet (portal vein) concentration; Liver, estimated liver concentration; + gut, inclusion of intestinal CYP3A4 inhibition term (where appropriate); fu, fraction unbound in blood; AD, absolute deviation; RMSE, root-mean-square error.