Reaction outcome prediction on USPTO_STEREO mixed
78.1Top-1 AccuracyGraph2SMILES
Evaluation Results
| Method | Links | ||||
|---|---|---|---|---|---|
| Graph2SMILESArchitecture variant=D-GAT2021.10 | 78.1 | 84.5 | 85.7 | 86.7 | |
| Graph2SMILESArchitecture variant=D-GCN2021.10 | 78.1 | 84.6 | 85.8 | 86.8 | |
| Molecular Transformer2021.10 | 76.2 | 84.3 | 85.8 | — |