Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations - researchr publication

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Wan Xiang Shen, Xian Zeng, Feng Zhu 0004, Ya-Li Wang, Chu Qin, Ying Tan, Yu Yang Jiang, Yu Zong Chen. Out-of-the-box deep learning prediction of pharmaceutical properties by broadly learned knowledge-based molecular representations. Nat. Mach. Intell., 3(4):334-343, 2021. [doi]

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