Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction

Hangrui Bi, Hengyi Wang, Chence Shi, Connor W. Coley, Jian Tang 0005, Hongyu Guo. Non-Autoregressive Electron Redistribution Modeling for Reaction Prediction. In Marina Meila, Tong Zhang 0001, editors, Proceedings of the 38th International Conference on Machine Learning, ICML 2021, 18-24 July 2021, Virtual Event. Volume 139 of Proceedings of Machine Learning Research, pages 904-913, PMLR, 2021. [doi]

Abstract

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