中国药理学与毒理学杂志2024，Vol.38Issue(4)：294-303,10.DOI:10.3867/j.issn.1000-3002.2024.04.007
人工智能在药物再利用治疗新型冠状病毒感染研究中的应用及问题分析
Application and analysis of problems of artificial intelligence in drug repurposing for Corona Virus Disease 2019(COVID-19)
摘要
Abstract
In recent years,drug repurposing has emerged as an effective strategy for identifying potential treatments for the outbreak of the Corona Virus Disease 2019(COVID-19).Artificial intelli-gence(AI)has been widely employed in the field of drug repurposing,enabling rapid computation and screening of extensive drug databases.Based on different algorithm design principles,AI methodolo-gies for drug repurposing in the context of COVID-19 can be categorized into three types:① network-based models,which emphasize the identification of associations between drugs and diseases to reveal potential therapeutic mechanisms;②structure-based methods,which employ the analysis of structural interactions between drugs and targets for precise screening;and ③ machine learning/deep learning approaches,which utilize multidimensional processing of complex nonlinear data for candidate drug prediction.Despite the significant role of AI in drug repurposing,the quality and quantity of data have a notable impact on the computational results of AI.Experimental studies alone cannot fully simulate the complex physiological environment of the human body,which may limit the precise validation of candi-date drugs in the preclinical stage.Optimization of drugs originally indicated for other conditions may also affect the effectiveness of candidate drugs for COVID-19.Moreover,treatment timing and individual differences may influence clinical outcomes.This review provides an overview of the application and challenges of AI in the field of drug repurposing for COVID-19 in order to provide reference for wider use of AI technology in COVID-19 treatment.关键词
人工智能/药物再利用/新型冠状病毒感染Key words
artificial intelligence/drug repurposing/Corona Virus Disease 2019(COVID-19)分类
医药卫生引用本文复制引用
单士喆,文博,乔天慈,单光存..人工智能在药物再利用治疗新型冠状病毒感染研究中的应用及问题分析[J].中国药理学与毒理学杂志,2024,38(4):294-303,10.基金项目
中央高校基本科研业务费(理工医科类)(YWF-22-BJ-J-313) （理工医科类）
北京市自然基金-昌平创新联合基金(L234003) Fundamental Research Funds for the Central Universities(YWF-22-BJ-J-313) （L234003）
and Beijing Nature Fund-Changping Innovation Joint Fund(L234003) （L234003）
