GRG achieves 58.6/77.2/83.4/87.1 top-1/3/5/10 accuracy and 15.5 diversity on USPTO-50k retrosynthesis, outperforming the base generator while reducing training time by 30%.
Lowe, Roger A
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Representation-Guided Discrete Molecular Graph Retrosynthesis
GRG achieves 58.6/77.2/83.4/87.1 top-1/3/5/10 accuracy and 15.5 diversity on USPTO-50k retrosynthesis, outperforming the base generator while reducing training time by 30%.