Forward reaction prediction on Reaction Prediction Dataset
91.5Top-1 AccuracySPMM
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| SPMMmolecule modality=string-based2022.11 | 91.5 | 93.4 | 94.6 | 95.3 | |
| Chemformer_largemolecule modality=string-based2022.11 | 91.3 | — | — | 93.7 | |
| LocalTransformmolecule modality=graph-based2022.11 | 90.8 | 94.8 | 95.7 | 96.3 | |
| Augmented Transformermolecule modality=string-based2022.11 | 90.6 | 94.4 | — | 96.1 | |
| Graph2SMILESmolecule modality=string-based & graph-based2022.11 | 90.3 | — | 94 | 94.8 | |
| Molecular Transformermolecule modality=string-based2022.11 | 88.7 | 92.1 | 93.1 | 94.2 | |
| MEGANmolecule modality=graph-based2022.11 | 86.3 | 90.3 | 92.4 | 94 |