人工智能在药物发现中的作用将彻底改变制药业:资源、方法和应用

Q3 Biochemistry, Genetics and Molecular Biology
P. Singh, Kapil Sachan, Vishal Khandelwal, Sumita Singh, Smita Singh
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引用次数: 0

摘要

传统的药物发现方法,如湿实验室测试、验证和合成技术,既耗时又昂贵。人工智能(AI)方法已经发展到可以对药物发现过程产生重大影响的地步。利用海量开放数据,人工智能方法正在彻底改变制药行业。在过去的几十年里,许多基于人工智能的模型已经被开发出来,并在药物开发过程的许多领域得到了应用。这些模型被用作传统研究的补充,以迅速发现优质药品。从药物研发到再利用,再到通过临床试验为制药企业带来生产效益。本文研究了人工智能的众多潜在用途。我们讨论了如何将人工智能用于制药领域,特别是用于预测药物的毒性、生物活性和理化特性等。在这篇综述文章中,我们讨论了人工智能在各种问题上的应用,包括新药发现、靶点结构预测、相互作用预测和结合亲和力预测。此外,还考虑了用于预测药物相互作用和纳米药物的人工智能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Role of Artificial Intelligence in Drug Discovery to Revolutionize the Pharmaceutical Industry: Resources, Methods and Applications
Traditional drug discovery methods such as wet-lab testing, validations, and synthetic techniques are time-consuming and expensive. Artificial Intelligence (AI) approaches have progressed to the point where they can have a significant impact on the drug discovery process. Using massive volumes of open data, artificial intelligence methods are revolutionizing the pharmaceutical industry. In the last few decades, many AI-based models have been developed and implemented in many areas of the drug development process. These models have been used as a supplement to conventional research to uncover superior pharmaceuticals expeditiously. Drug research and development to repurposing and productivity benefits in the pharmaceutical business through clinical trials. AI is studied in this article for its numerous potential uses. We have discussed how AI can be put to use in the pharmaceutical sector, specifically for predicting a drug's toxicity, bioactivity, and physicochemical characteristics, among other things. In this review article, we have discussed its application to a variety of problems, including de novo drug discovery, target structure prediction, interaction prediction, and binding affinity prediction. AI for predicting drug interactions and nanomedicines were also considered.
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来源期刊
Recent patents on biotechnology
Recent patents on biotechnology Biochemistry, Genetics and Molecular Biology-Biotechnology
CiteScore
2.90
自引率
0.00%
发文量
51
期刊介绍: Recent Patents on Biotechnology publishes review articles by experts on recent patents on biotechnology. A selection of important and recent patents on biotechnology is also included in the journal. The journal is essential reading for all researchers involved in all fields of biotechnology.
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