Retrosynthesis prediction on USPTO-50k (45/5)
58.5Top-1 AccuracyAT MaxFrag
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| AT MaxFragEvaluation protocol=MaxFrag2020.03 | 58.5 | 73 | 85.4 | 90 | |
| ATData augmentation=x100, Beam size=102020.03 | 53.5 | 69.4 | 81 | 85.7 | |
| Transformer (3*6)Validation set usage=none2020.03 | 42.7 | 52.5 | 69.8 | — |