Molecular Graph Retrosynthesis on USPTO-50k (test)
58.6Top-1 AccuracyGRG
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| GRGGuidance granularity=node–edge, Teacher / token=Uni-RXN node2026.05 | 58.6 | 77.2 | 83.4 | 87.1 | 15.5 | |
| RB-Align_XGuidance granularity=node X, Teacher / token=Uni-RXN node2026.05 | 58 | 76.6 | 80.2 | 85.3 | 13.7 | |
| RB-Align_yGuidance granularity=graph y, Teacher / token=Uni-RXN (reac-only)2026.05 | 57.6 | 73.1 | 76.6 | 78.8 | 11.8 | |
| RB-Align_yGuidance granularity=graph y, Teacher / token=RMAT2026.05 | 57 | 72.5 | 74.8 | 77.4 | 9.3 | |
| RB-Align_yGuidance granularity=graph y, Teacher / token=Uni-RXN (prod+reac)2026.05 | 56.8 | 72.7 | 76 | 78.4 | 10.9 | |
| RB-Align_yGuidance granularity=graph y, Teacher / token=ECFP/Morgan2026.05 | 56.6 | 71.3 | 75.2 | 78.6 | 11.1 | |
| RetroBridge (Base)Guidance granularity=–, Teacher / token=–2026.05 | 50.8 | 71.1 | 76 | 80.3 | 12.9 |