Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design

Hilbert Yuen In Lam, Robbe Pincket, Hao Han, Xing Er Ong, Zechen Wang, Jamie Hinks, Yanjie Wei, Weifeng Li, Liangzhen Zheng, Yuguang Mu. Application of variational graph encoders as an effective generalist algorithm in computer-aided drug design. Nat. Mach. Intell., 5(7):754-764, July 2023. [doi]

Authors

Hilbert Yuen In Lam

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Robbe Pincket

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Hao Han

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Xing Er Ong

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Zechen Wang

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Jamie Hinks

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Yanjie Wei

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Weifeng Li

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Liangzhen Zheng

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Yuguang Mu

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