Dataset | Method | ROC–AUC | PR–AUC | F1 |
---|---|---|---|---|
Biosnap | LR | 0.802 ± 0.001 | 0.779 ± 0.001 | 0.741 ± 0.002 |
Nat.Port | 0.853 ± 0.001 | 0.848 ± 0.001 | 0.714 ± 0.001 | |
Mol2Vec | 0.879 ± 0.006 | 0.861 ± 0.005 | 0.798 ± 0.007 | |
MolVAE | 0.892 ± 0.009 | 0.877 ± 0.009 | 0.788 ± 0.033 | |
DeepDDI | 0.886 ± 0.007 | 0.871 ± 0.007 | 0.817 ± 0.007 | |
Caster | 0.910 ± 0.005 | 0.887 ± 0.008 | 0.843 ± 0.005 | |
MCL-DDI | 0.996 ± 0.001 | 0.994 ± 0.001 | 0.986 ± 0.002 |