RetroComposer: Composing Templates for Template-Based Retrosynthesis Prediction

Benchmark Model Rank Results
single-step-retrosynthesis-on-uspto-50kRetroComposer (reaction class as prior)#4Top-1 accuracy: 65.9Top-3 accuracy: 85.8Top-5 accuracy: 89.5…
single-step-retrosynthesis-on-uspto-50kRetroComposer (reaction class unknown)#9Top-1 accuracy: 54.4Top-3 accuracy: 77.2Top-5 accuracy: 83.2…