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Graph neural networks for automated de novo drug design

2021188 citationsReview

Authors

Jiacheng Xiong · Chinese Academy of Sciences

Zhaoping Xiong · Shanghai Institute of Materia Medica

Kaixian Chen · Chinese Academy of Sciences

Hualiang Jiang · Chinese Academy of Sciences

Mingyue Zheng · University of Chinese Academy of Sciences

Topics & Keywords

Computational Drug Discovery Methods Machine Learning in Materials Science Protein Structure and Dynamics

Publication Details

Published in: Drug Discovery Today

Volume 26, Issue 6, pp. 1382-1393

DOI: 10.1016/j.drudis.2021.02.011

Field-Weighted Citation Impact: 20.96

Graph neural networks for automated de novo drug design | Researchclopedia