MARS: A Motif-based Autoregressive Model for Retrosynthesis Prediction

Benchmark Model Rank Results
single-step-retrosynthesis-on-uspto-50kMARS (reaction class as prior)Top-1 accuracy: 66.2Top-3 accuracy: 85.8Top-5 accuracy: 90.2
single-step-retrosynthesis-on-uspto-50kMARS (reaction class unknown)Top-1 accuracy: 54.6Top-3 accuracy: 76.4Top-5 accuracy: 83.3