conftrace_

organic reaction prediction

1 paper

Explore in graph

Co-occurring keywords · papers mentioning both

reaction center (1) weisfeiler-lehman network (1) graph edit (1) graph neural network (1) molecule representation (1) chemical reaction prediction (1) molecular representation (1) molecular graph (1) reaction prediction (1)

Papers

Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network NeurIPS 2017