Synthesizable Analog Search on ChEMBL 1k molecules
100ValiditySynthesisNet
Evaluation results
| Method | Links | |||||
|---|---|---|---|---|---|---|
| SynthesisNetMCMC version=non-MCMC, Parameters=default2025.09 | 100 | 7 | 54.3 | 53 | 45.2 | |
| SynGAFilter=Sim2025.09 | 100 | 6.4 | 63.1 | 63.8 | 53.4 | |
| SynGAFilter=MLP, Time=250 m2025.09 | 100 | 19.6 | 71.1 | 69.4 | 62.3 | |
| SynFormerParameters=default, Time=80 m2025.09 | 99.8 | 19 | 66.8 | 66.7 | 63.5 | |
| ChemProjector2025.09 | 98.8 | 13.3 | 59.8 | 58.7 | 55.7 | |
| SynNet2025.09 | 85 | 5.4 | 42.7 | 41.7 | 26.8 |