Fraction (percentage) of compounds within selected turnover ranges (t1/2 < 3, 3 < t1/2 < 40, 40 < t1/2 < 115, 115 < t1/2 <300, 300 < t1/2 < 600, 600 < t1/2 < 1800, and t1/2 > 1800) returning CLint with an expected error (RMSE) in the following ranges: <10, 10 < 30, and 30 < 100%
Turnover is expressed as in vitro half-life (t1/2) in minutes. For both the STD-D and the OD, the results are based on the better estimate derived by using either the MM model or an EXP model.
| t1/2 (min) | ||||||||
|---|---|---|---|---|---|---|---|---|
| RMSE (%) | <3 | 3 < 40 | 40 < 115 | 115 < 300 | 300 < 600 | 600 < 1800 | >1800 | |
| n = 5 | n = 16 | n = 9 | n = 12 | n = 14 | n = 10 | n = 10 | ||
| OD | <10 | 100 | 100 | 33 | 0 | 0 | 0 | 0 |
| 10 < 30 | 0 | 0 | 67 | 42 | 7 | 0 | 0 | |
| 30 < 100 | 0 | 0 | 0 | 58 | 93 | 100 | 0 | |
| STD-D | <10 | 40 | 87 | 33 | 0 | 0 | 0 | 0 |
| 10 < 30 | 0 | 13 | 67 | 83 | 0 | 0 | 0 | |
| 30 < 100 | 20 | 0 | 0 | 17 | 100 | 40 | 0 | |