most citedMechRetro is a chemical-mechanism-driven graph learning framework for interpretable retrosynthesis prediction and pathway planning

124 citations · 124 across the 1 of their papers we have counts for

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1 paper

cs.LG2022★ 124 cited

MechRetro is a chemical-mechanism-driven graph learning framework for interpretable retrosynthesis prediction and pathway planning

Yu Wang, Chao Pang, Yuzhe Wang +5

Leveraging artificial intelligence for automatic retrosynthesis speeds up organic pathway planning in digital laboratories. However, existing deep learning approaches are unexplain…