Classification on SR-p53 MoleculeNet
83.4ROC-AUCChemBERTa-2
Evaluation results
| Method | Links | |
|---|---|---|
| ChemBERTa-2Pre-training strategy=MTR, Pre-training size=5M2026.05 | 83.4 | |
| ChemBERTa-2Pre-training strategy=MTR, Pre-training size=10M2026.05 | 82.7 | |
| ChemBERTa-2Pre-training strategy=MTR, Pre-training size=77M2026.05 | 81.7 | |
| ChemBERTa-2Pre-training strategy=MLM, Pre-training size=5M2026.05 | 76.2 | |
| ChemBERTa-2Pre-training strategy=MLM, Pre-training size=77M2026.05 | 74.9 | |
| ChemBERTa-2Pre-training strategy=MLM, Pre-training size=10M2026.05 | 74.8 | |
| ChemBERTa-1Pre-training strategy=MLM2026.05 | 72.8 | |
| Random ForestPre-training strategy=None2026.05 | 72.4 | |
| D-MPNN (Chemprop)Pre-training strategy=None2026.05 | 71.9 | |
| GCNPre-training strategy=None2026.05 | 68.8 | |
| Chem-GMNetPre-training strategy=MLM, Pre-training size=10M2026.05 | 66.7 | |
| Chem-GMNetPre-training strategy=scratch, k=82026.05 | 63.6 |