ICML-Self-Improved Retrosynthetic Planning

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Self-Improved Retrosynthetic Planning

               Junsu Kim 1 Sungsoo Ahn 2 Hankook Lee 1 Jinwoo Shin 1

            Abstract
   Retrosynthetic planning is a fundamental problem
   in chemistry for finding a pathway of reactions
   to synthesize a target molecule. Recently, search
   algorithms have shown promising results for solv-
   ing this problem by using deep neural networks                 (a) Chemical reaction
   (DNNs) to expand their candidate solutions, i.e.,
   adding new reacti ...

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关键词：Synthetic planning Improved Improve proved