Retrosynthesis on USPTO-50k Without Reaction Type
75.1Top-1 AccuracyRxnNano-0.5B(AAM)
Evaluation results
| Method | Links | ||||
|---|---|---|---|---|---|
| RxnNano-0.5B(AAM)Category=LLM-based, Templ.=×, Map=✓, Test Aug.=×2026.02 | 75.1 | 90.8 | 93.4 | 96.6 | |
| RxnNano-0.5B(w/oAAM)Category=LLM-based, Templ.=×, Map=×, Test Aug.=×2026.02 | 69.8 | 89 | 92.8 | 95.8 | |
| EditRetroCategory=Template-free, Templ.=×, Map=✓, Test Aug.=✓2026.02 | 60.8 | 80.6 | 86 | 90.3 | |
| RetroDFM-R-7BCategory=LLM-based, Templ.=×, Map=✓, Test Aug.=×2026.02 | 59 | — | — | — | |
| RetroExplainerCategory=Template-free, Templ.=×, Map=-, Test Aug.=✓2026.02 | 57.7 | 79.2 | 84.8 | 91.4 | |
| RetroKNNCategory=Template-based, Templ.=✓, Map=-, Test Aug.=-2026.02 | 57.2 | 78.9 | 86.4 | 92.7 | |
| R-SMILESCategory=Template-free, Templ.=×, Map=×, Test Aug.=✓2026.02 | 56.3 | 79.2 | 86.2 | 91 | |
| Graph2EditsCategory=Semitemplate, Templ.=✓, Map=×, Test Aug.=-2026.02 | 55.1 | 77.3 | 83.4 | 89.4 | |
| ChemformerCategory=Template-free, Templ.=×, Map=×, Test Aug.=✓2026.02 | 54.3 | — | 62.3 | 63 | |
| GraphRetroCategory=Semitemplate, Templ.=×, Map=✓, Test Aug.=×2026.02 | 53.7 | 68.3 | 72.2 | 75.5 | |
| UalignCategory=Template-free, Templ.=×, Map=×, Test Aug.=✓2026.02 | 53.5 | 77.3 | 84.6 | 90.5 | |
| LocalRetroCategory=Template-based, Templ.=✓, Map=✓, Test Aug.=×2026.02 | 53.4 | 77.5 | 85.9 | 92.4 | |
| RetroformerCategory=Template-free, Templ.=×, Map=-, Test Aug.=-2026.02 | 53.2 | 71.1 | 76.6 | 82.1 | |
| Graph2SMILES (D-GCN)Category=Template-free, Templ.=×, Map=×, Test Aug.=×2026.02 | 52.9 | 66.5 | 70 | 72.9 | |
| GLNCategory=Template-based, Templ.=✓, Map=✓, Test Aug.=×2026.02 | 52.5 | 69 | 75.6 | 83.7 | |
| RetroPrimeCategory=Semitemplate, Templ.=×, Map=✓, Test Aug.=✓2026.02 | 51.4 | 70.8 | 74 | 76.1 | |
| GTACategory=Template-free, Templ.=×, Map=✓, Test Aug.=✓2026.02 | 51.1 | 67.6 | 74.8 | 81.6 | |
| RetroXpertCategory=Semitemplate, Templ.=×, Map=✓, Test Aug.=✓2026.02 | 50.4 | 61.1 | 62.3 | 63.4 | |
| ChemDual-8BCategory=LLM-based, Templ.=×, Map=×, Test Aug.=×2026.02 | 50 | 67.7 | 70.5 | 78.3 | |
| G2GCategory=Semitemplate, Templ.=×, Map=✓, Test Aug.=×2026.02 | 48.9 | 67.6 | 72.5 | 75.5 | |
| Augmented TransformerCategory=Template-free, Templ.=×, Map=×, Test Aug.=✓2026.02 | 48.3 | — | 73.4 | 77.4 | |
| MEGANCategory=Template-free, Templ.=×, Map=✓, Test Aug.=×2026.02 | 48.1 | 70.7 | 78.4 | 86.1 | |
| Tied TransformerCategory=Template-free, Templ.=×, Map=×, Test Aug.=×2026.02 | 47.1 | 67.2 | 73.5 | 78.5 | |
| DMP fusionCategory=Template-free, Templ.=×, Map=×, Test Aug.=×2026.02 | 46.1 | 65.2 | 70.4 | 74.3 | |
| GETCategory=Template-free, Templ.=×, Map=×, Test Aug.=×2026.02 | 44.9 | 58.8 | 62.4 | 65.9 | |
| NeuralSymCategory=Template-based, Templ.=✓, Map=-, Test Aug.=-2026.02 | 44.4 | 65.3 | 72.4 | 78.9 | |
| SCROPCategory=Template-free, Templ.=×, Map=×, Test Aug.=×2026.02 | 43.7 | 60 | 65.2 | 68.7 | |
| AutoSynRouteCategory=Template-free, Templ.=×, Map=×, Test Aug.=×2026.02 | 43.1 | 64.6 | 71.8 | 78.7 | |
| Seq2SeqCategory=Template-free, Templ.=×, Map=-, Test Aug.=-2026.02 | 37.4 | 52.4 | 57 | 61.7 | |
| RetroSimCategory=Template-based, Templ.=✓, Map=-, Test Aug.=-2026.02 | 37.3 | 54.7 | 63.3 | 74.1 |