Retrosynthetic planning on eMolecules 180 molecules (test)
94.44Success RateEG-MCTS(eMol)
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| EG-MCTS(eMol)EGN trained on=eMolecules, Building block library (B)=eMolecules2021.12 | 94.44 | 60.75 | 5.85 | |
| EG-MCTS(ChEMBL)EGN trained on=ChEMBL, Building block library (B)=eMolecules2021.12 | 93.33 | 79.96 | 7.71 | |
| EG-MCTS-0Experience Guidance Network=None, Building block library (B)=eMolecules2021.12 | 81.11 | 128.96 | 8.15 |