Single Step Retrosynthesis On Uspto 50K
Métriques
Top-1 accuracy
Top-10 accuracy
Top-3 accuracy
Top-5 accuracy
Résultats
Résultats de performance de divers modèles sur ce benchmark
Tableau comparatif
| Nom du modèle | Top-1 accuracy | Top-10 accuracy | Top-3 accuracy | Top-5 accuracy |
|---|---|---|---|---|
| retrocomposer-discovering-novel-reactions-by | 65.9 | 91.5 | 85.8 | 89.5 |
| deep-retrosynthetic-reaction-prediction-using | 53.4 | 92.4 | 77.5 | 85.9 |
| augmented-transformer-achieves-97-and-85-for | 53.5 | 85.7 | - | 81.0 |
| retrosynthetic-reaction-prediction-using | 35.2 | 65.1 | 52.3 | 59.1 |
| computer-assisted-retrosynthesis-based-on | 52.9 | 88.1 | 73.8 | 81.2 |
| learning-graph-models-for-template-free-1 | 63.9 | 88.1 | 81.5 | 85.2 |
| molecular-graph-enhanced-transformer-for | 44.9 | 65.9 | 58.8 | 62.4 |
| mars-a-motif-based-autoregressive-model-for | 66.2 | 92.9 | 85.8 | 90.2 |
| chemformer-a-pre-trained-transformer-for | 54.3 | 63.0 | - | 62.3 |
| permutation-invariant-graph-to-sequence-model-1 | 52.9 | 72.9 | 66.5 | 70.0 |
| semiretro-semi-template-framework-boosts-deep-1 | 54.9 | 84.1 | 75.3 | 80.4 |
| molecule-edit-graph-attention-network | 48.1 | 86.1 | 70.7 | 78.4 |
| molecular-graph-enhanced-transformer-for | 57.4 | 77.4 | 71.3 | 74.8 |
| molecular-graph-enhanced-transformer-for | 56.2 | 74.7 | 69.4 | 72.5 |
| energy-based-view-of-retrosynthesis | 65.7 | 85.9 | 81.9 | 84.7 |
| permutation-invariant-graph-to-sequence-model-1 | 51.2 | 73.9 | 66.3 | 70.4 |
| deep-retrosynthetic-reaction-prediction-using | 63.9 | 96.3 | 86.1 | 92.4 |
| retrosynthesis-prediction-with-conditional-1 | 52.5 | 83.7 | 69 | 75.6 |
| semiretro-semi-template-framework-boosts-deep-1 | 65.8 | 92.8 | 85.7 | 89.8 |
| improving-few-and-zero-shot-reaction-template | 51.8 | 88.1 | 74.6 | 81.2 |
| computer-assisted-retrosynthesis-based-on | 37.3 | 74.1 | 54.7 | 63.3 |
| mars-a-motif-based-autoregressive-model-for | 54.6 | 88.5 | 76.4 | 83.3 |
| molecule-edit-graph-attention-network | 60.7 | 91.6 | 82 | 87.5 |
| a-graph-to-graphs-framework-for | 48.9 | 75.5 | 67.6 | 72.5 |
| o-gnn-incorporating-ring-priors-into | 65.7 | 96.9 | 87.7 | 93.4 |
| learning-graph-models-for-template-free-1 | 53.7 | 75.5 | 68.3 | 72.2 |
| node-aligned-graph-to-graph-generation-for | 55.1 | 89.9 | 76.9 | 83.4 |
| o-gnn-incorporating-ring-priors-into | 54.1 | 92.5 | 77.7 | 86.0 |
| node-aligned-graph-to-graph-generation-for | 67.2 | 93.8 | 86.4 | 90.5 |
| retrocomposer-discovering-novel-reactions-by | 54.4 | 87.7 | 77.2 | 83.2 |
| energy-based-view-of-retrosynthesis | 53.6 | 77.0 | 70.7 | 74.6 |
| retroprime-a-diverse-plausible-and | 51.4 | 76.1 | 70.8 | 74.0 |
| g2gt-retrosynthesis-prediction-with-graph-to | 54.1 | 77.7 | 69.9 | 74.5 |