A New Graph-Based Reinforcement Learning Environment for Targeted Molecular Generation and Optimization✱

Amgad Abdallah Mahmoud, Nada Adel Alyan, Ahmed Elkerdawy, Shihori Tanabe, Frédéric Andrès, Andreas Pester, Hesham Ali 0001. A New Graph-Based Reinforcement Learning Environment for Targeted Molecular Generation and Optimization✱. In Proceedings of the 2023 12th International Conference on Software and Information Engineering, ICSIE 2023, Sharm El-Sheikh, Egypt, November 21-23, 2023. pages 52-57, ACM, 2023. [doi]

Abstract

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