conftrace_

reaction center

2 papers

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Co-occurring keywords · papers mentioning both

graph neural network (2) molecular graph (2) organic reaction prediction (1) weisfeiler-lehman network (1) template-free prediction (1) graph edit (1) chemical synthesis (1) molecule representation (1) chemical reaction prediction (1) retrosynthesis prediction (1)

Papers

RetroXpert: Decompose Retrosynthesis Prediction Like A Chemist NeurIPS 2020 Predicting Organic Reaction Outcomes with Weisfeiler-Lehman Network NeurIPS 2017