| AUC | PRC | Accuracy | Precision | Recall |
MolTrans | 0.900 | 0.784 | 0.842 | 0.782 | 0.617 |
TransformerCPI | 0.877 | 0.767 | 0.822 | 0.688 | 0.688 |
HyperAttentionDTI | 0.920 | 0.839 | 0.866 | 0.754 | 0.780 |
CT-CPI | 0.956 | 0.919 | 0.890 | 0.831 | 0.854 |