Retrosynthesis prediction on USPTO-50k
55.2Top-1 Acc (Unknown)DUALTB
Evaluation Results
| Method | Links | ||||||||
|---|---|---|---|---|---|---|---|---|---|
| DUALTBMethodology category=Template-Based2020.06 | 55.2 | 67.7 | 84.8 | 88.9 | 92 | 74.6 | 80.5 | 86.9 | |
| SemiRetroMethod Category=Semi-template2022.02 | 54.9 | 65.8 | 85.7 | 89.8 | 92.8 | 75.3 | 80.4 | 84.1 | |
| GRAPHRETROMethodology category=Semi-Template-Based2020.06 | 53.7 | 63.9 | 81.5 | 85.2 | 88.1 | 68.3 | 72.2 | 75.5 | |
| GraphRetroMethod Category=Template-free (TF)2022.02 | 53.7 | 63.9 | 81.5 | 85.2 | 88.1 | 68.3 | 72.2 | 75.5 | |
| DUALTFMethodology category=Template-Free2020.06 | 53.6 | 65.7 | 81.9 | 84.7 | 85.9 | 70.7 | 74.6 | 77 | |
| DualMethod Category=Template-free (TF)2022.02 | 53.6 | 65.7 | 81.9 | 84.7 | 85.9 | 70.7 | 74.6 | 77 | |
| GLNMethodology category=Template-Based2020.06 | 52.5 | 64.2 | 79.1 | 85.2 | 90 | 69 | 75.6 | 83.7 | |
| GLNMethod Category=Template-based (TB)2022.02 | 52.5 | 64.2 | 79.1 | 85.2 | 90 | 69 | 75.6 | 83.7 | |
| MHNreactMethod Category=Template-free (TF)2022.02 | 50.5 | — | — | — | — | 73.9 | 81 | 87.9 | |
| RETROXPERTMethodology category=Semi-Template-Based2020.06 | 50.4 | 62.1 | 75.8 | 78.5 | 80.9 | 61.1 | 62.3 | 63.4 | |
| RetroXpertMethod Category=Template-free (TF)2022.02 | 50.4 | 62.1 | 75.8 | 78.5 | 80.9 | 61.1 | 62.3 | 63.4 | |
| G2GsMethodology category=Semi-Template-Based2020.06 | 48.9 | 61 | 81.3 | 86 | 88.7 | 67.6 | 72.5 | 75.5 | |
| G2GMethod Category=Template-free (TF)2022.02 | 48.9 | 61 | 81.3 | 86 | 88.7 | 67.6 | 72.5 | 75.5 | |
| MEGANMethod Category=Template-free (TF)2022.02 | 48.1 | 60.7 | 82 | 87.5 | 91.6 | 70.7 | 78.4 | 86.1 | |
| NEURALSYMMethodology category=Template-Based2020.06 | 44.4 | 55.3 | 76 | 81.4 | 85.1 | 65.3 | 72.4 | 78.9 | |
| NeuralSymMethod Category=Template-based (TB)2022.02 | 44.4 | 55.3 | 76 | 81.4 | 85.1 | 65.3 | 72.4 | 78.9 | |
| SCROPMethodology category=Template-Free2020.06 | 43.7 | 59 | 74.8 | 78.1 | 81.1 | 60 | 65.2 | 68.7 | |
| SCROPMethod Category=Template-free (TF)2022.02 | 43.7 | 59 | 74.8 | 78.1 | 81.1 | 60 | 65.2 | 68.7 | |
| LV-TRANSFORMERMethodology category=Template-Free2020.06 | 40.5 | — | — | — | — | 65.1 | 72.8 | 79.4 | |
| LV-TransformerMethod Category=Template-free (TF)2022.02 | 40.5 | — | — | — | — | 65.1 | 72.8 | 79.4 | |
| RETROSIMMethodology category=Template-Based2020.06 | 37.3 | 52.9 | 73.8 | 81.2 | 88.1 | 54.7 | 63.3 | 74.1 | |
| RetroSimMethod Category=Template-based (TB)2022.02 | 37.3 | 52.9 | 73.8 | 81.2 | 88.1 | 54.7 | 63.3 | 74.1 |