Molecular Toxicity Classification on MoleculeNet
95.6Clintox AccuracyDMP(TF+GNN)
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| DMP(TF+GNN)Architecture=TF+GNN2023.11 | 95.6 | 79.1 | — | 69.8 | |
| GROVER-largeModel size=large2023.11 | 94.4 | 83.1 | 73.7 | 65.8 | |
| ChemBERTa22023.11 | 93.9 | — | — | — | |
| Instruct-G2023.11 | 93.4 | 77 | 61.9 | 62.2 | |
| MolCA(1D+2D)Modality=1D+2D2023.11 | 89.5 | 77.2 | 64.5 | — | |
| ChemBERTa2023.11 | 73.3 | — | — | — |