Multi-step synthesis on Pistachio Reachable
97RateGenerator
Evaluation Results
| Method | Links | |||||||
|---|---|---|---|---|---|---|---|---|
| GeneratorTraining Dataset=USPTO-50k2026.05 | 97 | 45 | 3.86 | 52 | 67 | 1,442.49 | 11.8 | |
| SCRtanTraining Dataset=USPTO-50k2026.05 | 97 | 35 | 4.45 | 49 | 60 | 943.2 | 7.38 | |
| GeneratorTraining Dataset=USPTO-1902026.05 | 97 | 67 | 3.95 | 50 | 59 | 2,083.88 | 13.29 | |
| SCRtanTraining Dataset=USPTO-1902026.05 | 97 | 44 | 14.22 | 17 | 21 | 4,295.86 | 10.36 | |
| Graph2EditsTraining Dataset=USPTO-50k2026.05 | 95 | 59 | 3.23 | 58 | 75 | 5,260.79 | 27.93 | |
| MeganTraining Dataset=USPTO-50k2026.05 | 95 | 51 | 3.1 | 59 | 74 | 9,012.99 | 33.34 | |
| NeuralSymTraining Dataset=USPTO-1902026.05 | 95 | 67 | 3.6 | 59 | 73 | 9,349.81 | 53.54 | |
| ChemformerTraining Dataset=USPTO-50k2026.05 | 87 | 40 | 2.08 | 51 | 64 | 760.91 | 14.67 | |
| GLNTraining Dataset=USPTO-50k2026.05 | 80 | 0 | 2.65 | 54 | 69 | 6,702.69 | 27.65 | |
| MHNreactTraining Dataset=USPTO-50k2026.05 | 54 | 21 | 1.43 | 36 | 46 | 643.95 | 4.99 |