HierRetro achieves top-3 retrosynthesis accuracy of 78.3% without reaction type and 89.4% with reaction type on USPTO-50k.
Computer-assisted synthetic analysis. Methods for machine generation of synthetic intermediates involving multistep look-ahead
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Hierarchical Framework for Retrosynthesis Prediction with Enhanced Reaction Center Localization
HierRetro achieves top-3 retrosynthesis accuracy of 78.3% without reaction type and 89.4% with reaction type on USPTO-50k.