Retrosynthetic planning on USPTO 190 target molecules
4.78Path LengthPDVN+RetroGraph
Evaluation results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| PDVN+RetroGraph2023.01 | 4.78 | — | — | — | — | — | — | — | |
| PDVN+Retro*2023.01 | 4.83 | — | — | — | — | — | — | — | |
| RetroGraph2023.01 | 5.63 | — | — | — | — | — | — | — | |
| Retro*2023.01 | 5.76 | — | — | — | — | — | — | — | |
| Retro*+2023.01 | 5.77 | — | — | — | — | — | — | — | |
| Retro*-02023.01 | 5.83 | — | — | — | — | — | — | — | |
| Retro*+-02023.01 | 6.16 | — | — | — | — | — | — | — | |
| RETRO*-0 + OURSframework=Self-Improved2021.06 | 7.69 | 57.37 | 96.32 | 96.22 | 11.66 | — | — | — | |
| RETRO* + OURSframework=Self-Improved2021.06 | 8.74 | 57.89 | 91.05 | 100.15 | 15.23 | — | — | — | |
| RETRO*2021.06 | 9.71 | 44.21 | 86.84 | 157.11 | 15.33 | — | — | — | |
| RETRO*-02021.06 | 11.21 | 27.37 | 79.47 | 208.09 | 19.4 | — | — | — | |
| DFPN-E2021.06 | — | — | 55.26 | 279.67 | — | — | — | — | |
| DFPN-E2021.12 | — | — | — | — | — | 23 | 17 | 6 | |
| EG-MCTS2021.12 | — | — | — | — | — | 13 | 51 | 5.07 | |
| EG-MCTS-0Experience Guidance=false2021.12 | — | — | — | — | — | 20 | 23 | 5.87 | |
| GREEDY DFS2021.06 | — | — | 22.63 | 388.15 | — | — | — | — | |
| MCTS2021.06 | — | — | 33.68 | 370.51 | — | — | — | — | |
| MCTS-rollout2021.12 | — | — | — | — | — | 30 | 26 | 6.06 | |
| Retro*-0+Learned value=false2021.12 | — | — | — | — | — | 40 | 24 | 6.25 | |
| Retro*+2021.12 | — | — | — | — | — | 26 | 24 | 6.03 |