Application progress of artificial intelligence in the screening and identification of drug targets

WANG Chao; XIAO Fu; LI Miaozhu; PAN Ying; DING Xiao; REN Feng; ZHAVORONKOV Alex; WANG Yazhou

doi:10.11665/j.issn.1000-5048.2023041102

Journal of China Pharmaceutical University > 2023 > 54(3): 269-281. > DOI: 10.11665/j.issn.1000-5048.2023041102

WANG Chao, XIAO Fu, LI Miaozhu, PAN Ying, DING Xiao, REN Feng, ZHAVORONKOV Alex, WANG Yazhou. Application progress of artificial intelligence in the screening and identification of drug targets[J]. Journal of China Pharmaceutical University, 2023, 54(3): 269-281. DOI: 10.11665/j.issn.1000-5048.2023041102

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Application progress of artificial intelligence in the screening and identification of drug targets

Insilico Medicine Shanghai Ltd., Shanghai 201203, China

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Received Date: April 10, 2023
Revised Date: June 12, 2023

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Abstract

Abstract

In recent years, artificial intelligence (AI) has developed rapidly, with improved computing power and algorithms, which has greatly facilitated the collection and processing of biological, chemical information and clinical data, injecting new vitality into the research and development of new drugs.In this review, we began with a brief overview of the development and the main algorithms of AI in drug discovery.Then we elaborated through several specific cases on the various scenarios of AI application, including target identification, protein structure prediction, hit generation and optimization etc.Finally, we focused on a recent example to discuss the high efficiency of "end-to-end" application of AI.
- artificial intelligence,
- target identification,
- protein structure prediction,
- hit generation,
- end-to-end application

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References

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