基于深度学习的药物设计方法

doi:10.3969/j.issn.0253-9608.2021.05.009

Abstract

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.

Key words: , drug design, artificial intelligence, deep learning, big data

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.

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Computational drug design methods by deep learning algorithms

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