Multi-step Synthesis on USPTO-190
95Success RateSCRtan
Evaluation Results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| SCRtanTraining Dataset=USPTO-50k2026.05 | 95 | 18 | 3.33 | 23 | 24 | 43 | 876.99 | 6.64 | |
| SCRrxnTraining Dataset=USPTO-1902026.05 | 91 | 17 | 4.4 | 5 | 19 | 5 | 1,436.35 | 5.58 | |
| SCRtanTraining Dataset=USPTO-1902026.05 | 91 | 35 | 8.22 | 10 | 20 | 14 | 3,613.41 | 9.82 | |
| GeneratorTraining Dataset=USPTO-1902026.05 | 81 | 17 | 1.93 | 26 | 23 | 42 | 1,071.63 | 9.14 | |
| SCRrxnTraining Dataset=USPTO-50k2026.05 | 78 | 15 | 2.41 | 18 | 22 | 31 | 1,023.66 | 7 | |
| MeganTraining Dataset=USPTO-50k2026.05 | 66 | 21 | 1.37 | 27 | 13 | 43 | 8,505.98 | 34.77 | |
| RetroknnTraining Dataset=USPTO-50k2026.05 | 54 | 25 | 1.58 | 23 | 14 | 37 | 8,013.27 | 37.64 | |
| Graph2EditsTraining Dataset=USPTO-50k2026.05 | 54 | 20 | 1.19 | 25 | 12 | 35 | 5,487.67 | 22.53 | |
| LocalretroTraining Dataset=USPTO-50k2026.05 | 50 | 22 | 1.64 | 21 | 14 | 35 | 8,075.65 | 39.08 | |
| NeuralsymTraining Dataset=USPTO-1902026.05 | 47 | 16 | 0.83 | 26 | 2 | 27 | 17,622.49 | 87.96 | |
| ChemformerTraining Dataset=USPTO-50k2026.05 | 41 | 10 | 0.93 | 17 | 8 | 23 | 976.31 | 13.97 | |
| GLNTraining Dataset=USPTO-50k2026.05 | 24 | 11 | 0.39 | 12 | 6 | 18 | 6,332.84 | 22.01 | |
| GeneratorTraining Dataset=USPTO-50k2026.05 | 17 | 1 | 0.26 | 6 | 2 | 8 | 2,410.82 | 33.76 | |
| MHNreactTraining Dataset=USPTO-50k2026.05 | 6 | 2 | 0.09 | 3 | 2 | 4 | 551.09 | 5.03 |