Table 4 The best regression models for some ADMET related properties (Part 2)
Property | Method | Features | mtry | Twofold rate (CV/test) | Threefold rate (CV/test) |
|---|---|---|---|---|---|
CL | RF | 2D | 10 | 0.760/0.816 | 0.877/0.897 |
T1/2 | RF | 2D | 12 | 0.762/0.699 | 0.897/0.824 |
LD50 | RF | 2D | 5 | 0.986/0.987 | 0.998/0.997 |