96 citations · 106 across the 2 of their papers we have counts for
2 papers
cs.LG2023★ 10 cited
Recent advances in artificial intelligence for retrosynthesis
Zipeng Zhong, Jie Song, Zunlei Feng +5
Retrosynthesis is the cornerstone of organic chemistry, providing chemists in material and drug manufacturing access to poorly available and brand-new molecules. Conventional rule-…
cs.LG2022★ 96 cited
Root-aligned SMILES: A Tight Representation for Chemical Reaction Prediction
Zipeng Zhong, Jie Song, Zunlei Feng +6
Chemical reaction prediction, involving forward synthesis and retrosynthesis prediction, is a fundamental problem in organic synthesis. A popular computational paradigm formulates…