330 citations · 2.7k across the 74 of their papers we have counts for
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cs.LG2019★ 202 cited
Analyzing Learned Molecular Representations for Property Prediction
Kevin Yang, Kyle Swanson, Wengong Jin +12
Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising res…
cs.LG2019★ 2 cited
Learning retrosynthetic planning through self-play
John S. Schreck, Connor W. Coley, Kyle J. M. Bishop
The problem of retrosynthetic planning can be framed as one player game, in which the chemist (or a computer program) works backwards from a molecular target to simpler starting ma…