RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning

Hankook Lee, Sungsoo Ahn, Seung-Woo Seo, You Young Song, Eunho Yang, Sung Ju Hwang, Jinwoo Shin. RetCL: A Selection-based Approach for Retrosynthesis via Contrastive Learning. In Zhi-Hua Zhou, editor, Proceedings of the Thirtieth International Joint Conference on Artificial Intelligence, IJCAI 2021, Virtual Event / Montreal, Canada, 19-27 August 2021. pages 2673-2679, ijcai.org, 2021. [doi]

Abstract

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