Hit Identification on DRD2-Hi Lo-Hi benchmark
78.4AUPRCHyformer
Evaluation results
| Method | Links | |
|---|---|---|
| HyformerTraining Strategy=Joint pre-training2025.04 | 78.4 | |
| Chemprop2025.04 | 78.2 | |
| HyformerTraining Strategy=no-joint (MLM loss only)2025.04 | 77.8 | |
| GBMolecular Descriptor=MACCS2025.04 | 75.1 | |
| GBMolecular Descriptor=ECFP42025.04 | 73.6 | |
| Graphormer2025.04 | 72.9 | |
| MLPMolecular Descriptor=ECFP42025.04 | 71.7 | |
| SVMMolecular Descriptor=MACCS2025.04 | 71.3 | |
| KNNMolecular Descriptor=ECFP42025.04 | 70.6 | |
| KNNMolecular Descriptor=MACCS2025.04 | 70.2 | |
| MLPMolecular Descriptor=MACCS2025.04 | 69.6 | |
| Dummy baseline2025.04 | 67.7 | |
| SVMMolecular Descriptor=ECFP42025.04 | 67.7 |