24 citations · 35 across the 6 of their papers we have counts for
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cs.AI2023★ 1 cited
Retrosynthesis Prediction with Local Template Retrieval
Shufang Xie, Rui Yan, Junliang Guo +3
Retrosynthesis, which predicts the reactants of a given target molecule, is an essential task for drug discovery. In recent years, the machine learing based retrosynthesis methods…
cs.AI2022★ 24 cited
RetroGraph: Retrosynthetic Planning with Graph Search
Shufang Xie, Rui Yan, Peng Han +5
Retrosynthetic planning, which aims to find a reaction pathway to synthesize a target molecule, plays an important role in chemistry and drug discovery. This task is usually modele…