most citedNode-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis

28 citations · 28 across the 1 of their papers we have counts for

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1 paper

cs.LG2023★ 28 cited

Node-Aligned Graph-to-Graph (NAG2G): Elevating Template-Free Deep Learning Approaches in Single-Step Retrosynthesis

Lin Yao, Wentao Guo, Zhen Wang +3

Single-step retrosynthesis (SSR) in organic chemistry is increasingly benefiting from deep learning (DL) techniques in computer-aided synthesis design. While template-free DL model…