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SotA/Medical/Single-step retrosynthesis/USPTO-50k

Single-step retrosynthesis on USPTO-50k

Metric: Top-50 accuracy (higher is better)

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#Model↕Top-50 accuracy▼Extra DataPaperDate↕Code
1O-GNN (reaction class as prior)98.3No--Code
2O-GNN (reaction class unknown)98.2No--Code
3LocalRetro (reaction class as prior)97.9No--Code
4LocalRetro (reaction class unknown)97.7No--Code
5MHNreact (reaction class unknown)94No--Code
6MEGAN (reaction class unknown)93.2NoMolecule Edit Graph Attention Network: Modeling ...2020-06-27Code
7GLN92.4NoRetrosynthesis Prediction with Conditional Graph...2020-01-06Code