Enhanced Template-Free Reaction Prediction with Molecular Graphs and Sequence-based Data Augmentation

Haozhe Hu, Yongquan Jiang, Yan Yang, Jim X. Chen. Enhanced Template-Free Reaction Prediction with Molecular Graphs and Sequence-based Data Augmentation. In Ingo Frommholz, Frank Hopfgartner, Mark Lee 0001, Michael Oakes 0001, Mounia Lalmas, Min Zhang 0006, Rodrygo L. T. Santos, editors, Proceedings of the 32nd ACM International Conference on Information and Knowledge Management, CIKM 2023, Birmingham, United Kingdom, October 21-25, 2023. pages 813-822, ACM, 2023. [doi]

Abstract

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