Application progress of artificial intelligence in the screening and identification of drug targets
10.11665/j.issn.1000-5048.2023041102
- VernacularTitle:人工智能在药物靶点的筛选及验证方面的应用进展
- Author:
Chao WANG
1
;
Fu XIAO
;
Miaozhu LI
;
Ying PAN
;
Xiao DING
;
Feng REN
;
Alex ZHAVORONKOV
;
Yazhou WANG
Author Information
1. 英矽智能科技(上海)有限公司
- Publication Type:Journal Article
- Keywords:
artificial intelligence;
target identification;
protein structure prediction;
hit generation;
end-to-end application
- From:
Journal of China Pharmaceutical University
2023;54(3):269-281
- CountryChina
- Language:Chinese
-
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.
