202 citations · 428 across the 14 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★ 154 cited
Learning Multimodal Graph-to-Graph Translation for Molecular Optimization
Wengong Jin, Kevin Yang, Regina Barzilay +1
We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available…