From: HobPre: accurate prediction of human oral bioavailability for small molecules
Cutoff | Data sets | Molecules | Positive | Negative |
---|---|---|---|---|
F = 50% | Training set | 1157 | 536 | 621 |
Test set 1 | 290 | 169 | 121 | |
Test set 2 | 141 | 90 | 51 | |
F = 20% | Training set | 1142 | 859 | 283 |
Test set 1 | 287 | 214 | 73 | |
Test set 2 | 133 | 128 | 5 |