Retrosynthesis on USPTO-50k With Reaction Type
75.7Top-1 AccuracyRxnNano-0.5B(AAM)
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| RxnNano-0.5B(AAM)Category=LLM-based, Templ.=×, Map=✓, Test Aug.=×2026.02 | 75.7 | 91.2 | 94.9 | 96.8 | |
| RxnNano-0.5B(w/oAAM)Category=LLM-based, Templ.=×, Map=×, Test Aug.=×2026.02 | 72 | 89.7 | 93.5 | 96 | |
| Graph2EditsCategory=Semitemplate, Templ.=✓, Map=×, Test Aug.=-2026.02 | 67.1 | 87.5 | 91.5 | 93.8 | |
| RetroExplainerCategory=Template-free, Templ.=×, Map=-, Test Aug.=✓2026.02 | 66.8 | 88 | 92.5 | 95.8 | |
| RetroKNNCategory=Template-based, Templ.=✓, Map=-, Test Aug.=-2026.02 | 66.7 | 88.2 | 93.6 | 96.6 | |
| UalignCategory=Template-free, Templ.=×, Map=×, Test Aug.=✓2026.02 | 66.4 | 86.7 | 91.5 | 95 | |
| RetroPrimeCategory=Semitemplate, Templ.=×, Map=✓, Test Aug.=✓2026.02 | 64.8 | 81.6 | 85 | 86.9 | |
| GLNCategory=Template-based, Templ.=✓, Map=✓, Test Aug.=×2026.02 | 64.2 | 79.1 | 85.2 | 90 | |
| RetroformerCategory=Template-free, Templ.=×, Map=-, Test Aug.=-2026.02 | 64 | 82.5 | 86.7 | 90.2 | |
| LocalRetroCategory=Template-based, Templ.=✓, Map=✓, Test Aug.=×2026.02 | 63.9 | 86.8 | 92.4 | 96.3 | |
| GraphRetroCategory=Semitemplate, Templ.=×, Map=✓, Test Aug.=×2026.02 | 63.9 | 81.5 | 85.2 | 88.1 | |
| RetroXpertCategory=Semitemplate, Templ.=×, Map=✓, Test Aug.=✓2026.02 | 62.1 | 75.8 | 78.5 | 80.9 | |
| G2GCategory=Semitemplate, Templ.=×, Map=✓, Test Aug.=×2026.02 | 61 | 81.3 | 86 | 88.7 | |
| MEGANCategory=Template-free, Templ.=×, Map=✓, Test Aug.=×2026.02 | 60.7 | 82 | 87.5 | 91.6 | |
| SCROPCategory=Template-free, Templ.=×, Map=×, Test Aug.=×2026.02 | 59 | 74.8 | 78.1 | 81.1 | |
| NeuralSymCategory=Template-based, Templ.=✓, Map=-, Test Aug.=-2026.02 | 55.3 | 76 | 81.4 | 85.1 | |
| RetroSimCategory=Template-based, Templ.=✓, Map=-, Test Aug.=-2026.02 | 52.9 | 73.8 | 81.2 | 88.1 | |
| Seq2SeqCategory=Template-free, Templ.=×, Map=-, Test Aug.=-2026.02 | 37.4 | 52.4 | 57 | 61.7 |