Retrosynthetic planning on RetroBench
45.5Top-1 Exact Match AccuracyReTriP
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| ReTriPGenerative Model Category=Template-free, Search Module=N/A2026.03 | 45.5 | 52.1 | 55.1 | 56.7 | 57.6 | |
| RetroInTextGenerative Model Category=Template-free, Search Module=Retro*-02026.03 | 42.1 | 49.9 | 53 | 54.7 | 55.7 | |
| NeuralsymGenerative Model Category=Template-based, Search Module=Retro*-02026.03 | 42 | 49.3 | 52 | 53.6 | 54.3 | |
| GLNGenerative Model Category=Template-based, Search Module=Retro*2026.03 | 39.6 | 48.9 | 52.7 | 54.6 | 55.7 | |
| FusionRetro+CREBMGenerative Model Category=Template-free, Search Module=Retro*-02026.03 | 39.6 | 46.7 | 49.5 | 51 | 51.7 | |
| FusionRetroGenerative Model Category=Template-free, Search Module=Retro*2026.03 | 37.5 | 45 | 48.2 | 50 | 50.9 | |
| RetrosimGenerative Model Category=Template-based, Search Module=Retro*2026.03 | 35.1 | 40.5 | 42.9 | 44 | 44.6 | |
| Transformer+CREBMGenerative Model Category=Template-free, Search Module=Retro*2026.03 | 35 | 43.4 | 46.7 | 48.5 | 49.7 | |
| MeganGenerative Model Category=Template-free, Search Module=Greedy DFS2026.03 | 32.9 | — | — | — | — | |
| TransformerGenerative Model Category=Template-free, Search Module=Retro*2026.03 | 31.3 | 40.4 | 44.7 | 47.2 | 48.9 | |
| GraphRetro+CREBMGenerative Model Category=Semi-template-based, Search Module=Retro*-02026.03 | 16.3 | 20.2 | 21.6 | 22.3 | 22.7 | |
| GraphRetroGenerative Model Category=Semi-template-based, Search Module=Retro*2026.03 | 15.3 | 19.5 | 21 | 21.9 | 22.4 | |
| G2GsGenerative Model Category=Semi-template-based, Search Module=Retro*2026.03 | 5.4 | 8.3 | 9.9 | 10.9 | 11.7 |