Retrosynthetic Planning on USPTO 190 (test)
96.84Success Rate (N=100)PDVN+RetroGraph
Evaluation Results
| Method | Links | |||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| PDVN+RetroGraph2023.01 | 96.84 | 93.16 | 97.89 | 99.47 | 99.47 | 99.47 | 20.24 | 486.87 | 417.54 | |
| PDVN+Retro*-02023.01 | 93.68 | 86.32 | 97.37 | 97.89 | 98.95 | 98.95 | 30.94 | 773.56 | 995.22 | |
| RetroGraph2023.01 | 88.42 | 69.47 | 97.89 | 98.95 | 99.47 | 99.47 | 45.13 | 674.23 | 500.44 | |
| Retro*+2023.01 | 74.21 | 63.16 | 83.16 | 86.84 | 90 | 90.53 | 98.91 | 1,157.74 | 1,708.17 | |
| Retro*+-02023.01 | 67.37 | 56.84 | 83.16 | 92.11 | 94.74 | 96.32 | 97.95 | 1,444.52 | 2,139.3 | |
| Retro*2023.01 | 55.79 | 40 | 70.53 | 76.84 | 82.11 | 85.79 | 158.81 | 2,632.84 | 3,685.31 | |
| DFPN-E2023.01 | 50.53 | — | 58.42 | 64.21 | 68.42 | 75.26 | 208.12 | 3,123.33 | 4,635.08 | |
| MCTS-rollout2023.01 | 43.68 | — | 47.37 | 54.74 | 58.95 | 62.63 | 254.32 | — | — | |
| Greedy DFS2023.01 | 38.42 | — | 40.53 | 44.21 | 45.26 | 46.84 | 300.56 | — | — | |
| Retro*-02023.01 | 38.42 | 27.37 | 58.42 | 67.37 | 75.26 | 79.47 | 209.86 | 3,905.62 | 5,565.37 |