GNN-Retro: Retrosynthetic Planning with Graph Neural Networks

Peng Han 0005, Peilin Zhao, Chan Lu, JunZhou Huang, Jiaxiang Wu, Shuo Shang, Bin Yao, Xiangliang Zhang 0001. GNN-Retro: Retrosynthetic Planning with Graph Neural Networks. In Thirty-Sixth AAAI Conference on Artificial Intelligence, AAAI 2022, Thirty-Fourth Conference on Innovative Applications of Artificial Intelligence, IAAI 2022, The Twelveth Symposium on Educational Advances in Artificial Intelligence, EAAI 2022 Virtual Event, February 22 - March 1, 2022. pages 4014-4021, AAAI Press, 2022. [doi]

Abstract

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