人工智能在药物再定位的应用

Application of Artificial Intelligence in Drug Repurposing

药物再定位是利用已上市药物或临床研究失败的药物等进行药物新适应证探索的一种方法,因其通过缩短研发周期、降低研发成本可解决目前药物研发面临的漫长周期和高昂费用问题,而获得了医药行业的广泛认可。随着医药大数据、计算能力和深度学习算法的巨大进步,人工智能运用于药物再定位在时间和成本方面有明显优势。通过对医药大数据进行采集、加工和处理,并进一步分析和挖掘,可以有效建立起药物-疾病之间的联系,推动药物再定位的发展。本研究将从药物、疾病以及真实世界数据3个方面对人工智能参与药物再定位的方法进行综述,并进一步探讨其中可能面临的挑战,以充分理解人工智能在药物再定位中的应用,推动人工智能与药物研发融合发展。

Drug repurposing is a method for exploring new indications for maketed drugs or drugs that have failed clinical studies,and has been widely recognized by the pharmaceutical industry because it can solve the risk of long cycle and high costs currently faced in drug research and development(R&D)by shortening the R&D cycle and reducing R&D costs.With the tremendous progress of pharmaceutical big data,computing power and deep learning algorithms,the application of artificial intelligence(AI)in drug repurposing has obvious advantages in time and cost.Through the collection,processing and handling of pharmaceutical big data,and further analysis and mining,the connection between drugs and diseases can be effectively established and the development of drug repurposing can be promoted.This review will elaborate the methods of AI participating in drug repurposing from three aspects of drugs,diseases,and real world data,and further discuss the possible challenges,so as to fully understand the application of AI in drug repurposing,and promote the integrated development of AI and drug R&D.