使用机器学习实现药物发现自动化。

Q3 Pharmacology, Toxicology and Pharmaceutics
Ali K Abdul Raheem, Ban N Dhannoon
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引用次数: 0

摘要

由于计算科学的进步,药物的发现和开发速度加快了。人工智能在工业界和学术界都得到了广泛的应用。机器学习(ML)是人工智能的一个重要组成部分,已被用于各种领域,包括数据生产和分析。从机器学习的这一成就中获得重大收获的一个领域是药物发现。将新药推向市场的过程既复杂又耗时。传统药物研究耗时长、成本高、失败率高。科学家测试了数百万种化合物,但只有一小部分能够进行临床前或临床测试。至关重要的是要接受创新,尤其是自动化技术,以减少药物研究的复杂性,避免将药物推向市场的高成本和漫长过程。一个快速发展的领域,人工智能的一个分支,称为机器学习(ML),正在被许多制药企业使用。通过将ML方法纳入药物开发过程,可以实现重复数据处理和分析过程的自动化。ML技术可以用于药物发现过程的许多阶段。在这项研究中,我们将讨论药物发现的步骤和可以应用于这些步骤的机器学习方法,并概述该领域的每一项研究工作。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Automating Drug Discovery using Machine Learning.

Drug discovery and development have been sped up because of the advances in computational science. In both industry and academics, artificial intelligence (AI) has been widely used. Machine learning (ML), an important component of AI, has been used in a variety of domains, including data production and analytics. One area that stands to gain significantly from this achievement of machine learning is drug discovery. The process of bringing a new drug to market is complicated and time-consuming. Traditional drug research takes a long time, costs a lot of money, and has a high failure rate. Scientists test millions of compounds, but only a small number make it to preclinical or clinical testing. It is crucial to embrace innovation, especially automated technologies, to lessen the complexity involved in drug research and avoid the high cost and lengthy process of bringing a medicine to the market. A rapidly developing field, a branch of artificial intelligence called machine learning (ML), is being used by numerous pharmaceutical businesses. Automating repetitive data processing and analysis processes can be achieved by incorporating ML methods into the drug development process. ML techniques can be used at numerous stages of the drug discovery process. In this study, we will discuss the steps of drug discovery and methods of machine learning that can be applied in these steps, as well as give an overview of each of the research works in this field.

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来源期刊
Current drug discovery technologies
Current drug discovery technologies Pharmacology, Toxicology and Pharmaceutics-Drug Discovery
CiteScore
3.70
自引率
0.00%
发文量
48
期刊介绍: Due to the plethora of new approaches being used in modern drug discovery by the pharmaceutical industry, Current Drug Discovery Technologies has been established to provide comprehensive overviews of all the major modern techniques and technologies used in drug design and discovery. The journal is the forum for publishing both original research papers and reviews describing novel approaches and cutting edge technologies used in all stages of drug discovery. The journal addresses the multidimensional challenges of drug discovery science including integration issues of the drug discovery process.
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