Retrosynthetic planning on ChEMBL (test)
79.05Success RateEG-MCTS(ChEMBL)
Evaluation results
| Method | Links | |||
|---|---|---|---|---|
| EG-MCTS(ChEMBL)EGN trained on=ChEMBL, Building block library (B)=ChEMBL2021.12 | 79.05 | 164.28 | 9.77 | |
| EG-MCTS(eMol)EGN trained on=eMolecules, Building block library (B)=ChEMBL2021.12 | 62.16 | 272.08 | 8.36 | |
| EG-MCTS-0Experience Guidance Network=None, Building block library (B)=ChEMBL2021.12 | 59.12 | 278.44 | 11.56 | |
| Retro*+(eMol)EGN trained on=eMolecules, Building block library (B)=ChEMBL2021.12 | 48.65 | 327.67 | 10.22 | |
| Retro*+(ChEMBL)EGN trained on=ChEMBL, Building block library (B)=ChEMBL2021.12 | 47.97 | 332.03 | 10.44 | |
| Retro*+-0Experience Guidance Network=None, Building block library (B)=ChEMBL2021.12 | 41.22 | 355.77 | 10.43 |