Property Prediction on AMES (ROC-AUC, PR-AUC)
0.886ROC-AUCODC
Evaluation Results
| Method | Links | ||
|---|---|---|---|
| ODCSecret Bases=SameSpan-Orth2024.03 | 0.886 | 0.899 | |
| Central2024.03 | 0.871 | 0.887 | |
| Imakura-DCSecret Bases=SameSpan2024.03 | 0.866 | 0.882 | |
| Imakura-DCSecret Bases=SameSpan-Orth2024.03 | 0.862 | 0.879 | |
| Kawakami-DCSecret Bases=SameSpan-Orth2024.03 | 0.824 | 0.838 | |
| NeuralFP2024.08 | 0.823 | — | |
| Kawakami-DCSecret Bases=SameSpan2024.03 | 0.822 | 0.837 | |
| GCN2024.08 | 0.818 | — | |
| SMILES-Mamba2024.08 | 0.801 | — | |
| Morgan+MLP2024.08 | 0.794 | — | |
| SMILES+CNN2024.08 | 0.776 | — | |
| ODCSecret Bases=DiffSpan-Orth2024.03 | 0.679 | 0.715 | |
| Kawakami-DCSecret Bases=DiffSpan-Orth2024.03 | 0.654 | 0.691 | |
| Kawakami-DCSecret Bases=DiffSpan2024.03 | 0.652 | 0.69 | |
| Imakura-DCSecret Bases=DiffSpan-Orth2024.03 | 0.631 | 0.669 | |
| Imakura-DCSecret Bases=DiffSpan2024.03 | 0.619 | 0.656 | |
| ODCSecret Bases=SameSpan2024.03 | 0.599 | 0.625 | |
| ODCSecret Bases=DiffSpan2024.03 | 0.581 | 0.62 |