Deep Retrosynthetic Reaction Prediction using Local Reactivity and Global Attention

Benchmark Model Rank Results
single-step-retrosynthesis-on-uspto-50kLocalRetro (reaction class as prior)#5Top-1 accuracy: 63.9Top-3 accuracy: 86.1Top-5 accuracy: 92.4
single-step-retrosynthesis-on-uspto-50kLocalRetro (reaction class unknown)#14Top-1 accuracy: 53.4Top-3 accuracy: 77.5Top-5 accuracy: 85.9