Recent Progress of Deep Learning in Drug Discovery

Feng       Wang; XiaoMin       Diao; Shan       Chang; Lei       Xu

doi:10.2174/1381612827666210129123231

Abstract

Deep learning, an emerging field of artificial intelligence based on neural networks in machine learning, has been applied in various fields and is highly valued. Herein, we mainly review several mainstream architectures in deep learning, including deep neural networks, convolutional neural networks and recurrent neural networks in the field of drug discovery. The applications of these architectures in molecular de novo design, property prediction, biomedical imaging and synthetic planning have also been explored. Apart from that, we further discuss the future direction of the deep learning approaches and the main challenges we need to address.

Keywords: Artificial intelligence, neural networks, deep learning, drug discovery, de novo design, property prediction, biomedical imaging, synthetic planning.

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DOI https://dx.doi.org/10.2174/1381612827666210129123231	Print ISSN 1381-6128
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