A Graph to Graphs Framework for Retrosynthesis Prediction

Chence Shi, Minkai Xu, Hongyu Guo, Ming Zhang 0004, Jian Tang. A Graph to Graphs Framework for Retrosynthesis Prediction. In Proceedings of the 37th International Conference on Machine Learning, ICML 2020, 13-18 July 2020, Virtual Event. Volume 119 of Proceedings of Machine Learning Research, pages 8818-8827, PMLR, 2020. [doi]

Abstract

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