Special Issue for Advanced Immunochemical Studies

Computational drug design methods by deep learning algorithms 

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  • Shanghai Institute for Advanced Immunochemical Studies, ShanghaiTech University, Shanghai 201210, China

Received date: 2021-05-30

  Online published: 2021-10-25

Abstract

Drug design and development is a long term, expensive and high-risk process. The continuous innovation of science and technology, as well as the explosive growth of the biomedical data brings unprecedented opportunities for the applications of deep learning algorithms in biomedical areas to expediate the drug development. In this review, we briefly overview and list the state-ofthe-art deep learning-driven drug design methods for identifying drug targets, molecular generation, ligand-based and structure-based drug design.

Cite this article

LI Fenglei, HU Qiaoyu, XIONG Ruofan, BAI Fang . Computational drug design methods by deep learning algorithms [J]. Chinese Journal of Nature, 2021 , 43(5) : 383 -390 . DOI: 10.3969/j.issn.0253-9608.2021.05.009

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