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

Authors: Hilbert Yuen In Lam, Robbe Pincket, Hao Han, Xing Er Ong, Zechen Wang, Jamie Hinks, Yanjie Wei, Weifeng Li, Liangzhen Zheng, Yuguang Mu

Published: 2023-07-06

DOI: 10.1038/s42256-023-00683-9

Source: Full article

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Abstract

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