52 citations · 74 across the 2 of their papers we have counts for
2 papers
cs.LG2019★ 52 cited
Learning to Make Generalizable and Diverse Predictions for Retrosynthesis
Benson Chen, Tianxiao Shen, Tommi S. Jaakkola +1
We propose a new model for making generalizable and diverse retrosynthetic reaction predictions. Given a target compound, the task is to predict the likely chemical reactants to pr…
cs.LG2019★ 22 cited
Path-Augmented Graph Transformer Network
Benson Chen, Regina Barzilay, Tommi Jaakkola
Much of the recent work on learning molecular representations has been based on Graph Convolution Networks (GCN). These models rely on local aggregation operations and can therefor…