Retrosynthesis (reaction class not given) on USPTO-50k (test)
54.6Top-1 AccMARS
Evaluation results
| Method | Links | ||||||
|---|---|---|---|---|---|---|---|
| MARSMethod Type=Graph-based2022.09 | 54.6 | 76.4 | 83.3 | 88.5 | — | — | |
| GraphRetroMethod Type=Graph-based2022.09 | 53.7 | 68.3 | 72.2 | 75.5 | — | — | |
| DualTFMethod Type=Sequence-based2022.09 | 53.6 | 70.7 | 74.6 | 77 | — | — | |
| GLNMethod Type=Template-based2022.09 | 52.5 | 69 | 75.6 | 83.7 | — | — | |
| GMTBackbone=GLN, Pooling Method=Graph Multiset Transformer (GMT), Reaction Class Provided=false2021.02 | 51.83 | 68.2 | 75.17 | 83.2 | 89.33 | 92.47 | |
| GLNBackbone=GLN, Pooling Method=Average Pooling, Reaction Class Provided=false2021.02 | 51.41 | 67.55 | 74.92 | 83.48 | 88.64 | 92.37 | |
| MinCutPoolBackbone=GLN, Pooling Method=MinCutPool, Reaction Class Provided=false2021.02 | 51.17 | 67.47 | 75.59 | 83.68 | 89.31 | 92.31 | |
| RetroXpertMethod Type=Graph-based2022.09 | 50.4 | 61.1 | 62.3 | 63.4 | — | — | |
| G2GsMethod Type=Graph-based2022.09 | 48.9 | 67.6 | 72.5 | 75.5 | — | — | |
| MEGANMethod Type=Graph-based2022.09 | 48.1 | 70.7 | 78.4 | 86.1 | — | — | |
| NeuralSymMethod Type=Template-based2022.09 | 44.4 | 65.3 | 72.4 | 78.9 | — | — | |
| SCROPMethod Type=Sequence-based2022.09 | 43.7 | 60 | 65.2 | 68.7 | — | — | |
| LV-TransformerMethod Type=Sequence-based2022.09 | 40.5 | 65.1 | 72.8 | 79.4 | — | — | |
| RetroSimMethod Type=Template-based2022.09 | 37.3 | 54.7 | 63.3 | 74.1 | — | — |