Bioinformatics Infrastructure Facility (BIF), Dr. B. R. Ambedkar Center for Biomedical Research, University of Delhi, New Delhi, 110007, India.
Laboratory of Molecular Modeling and Anticancer Drug Development, Dr. B.R. Ambedkar Center for Biomedical Research, University of Delhi, New Delhi, 110007, India.
Curr Top Med Chem. 2022;22(20):1692-1727. doi: 10.2174/1568026622666220701091339.
The lengthy and expensive process of developing a novel medicine often takes many years and entails a significant financial burden due to its poor success rate. Furthermore, the processing and analysis of quickly expanding massive data necessitate the use of cutting-edge methodologies. As a result, Artificial Intelligence-driven methods that have been shown to improve the efficiency and accuracy of drug discovery have grown in favor.
The goal of this thorough analysis is to provide an overview of the drug discovery and development timeline, various approaches to drug design, and the use of Artificial Intelligence in many aspects of drug discovery.
Traditional drug development approaches and their disadvantages have been explored in this paper, followed by an introduction to AI-based technology. Also, advanced methods used in Machine Learning and Deep Learning are examined in detail. A few examples of big data research that has transformed the field of medication discovery have also been presented. Also covered are the many databases, toolkits, and software available for constructing Artificial Intelligence/Machine Learning models, as well as some standard model evaluation parameters. Finally, recent advances and uses of Machine Learning and Deep Learning in drug discovery are thoroughly examined, along with their limitations and future potential.
Artificial Intelligence-based technologies enhance decision-making by utilizing the abundantly available high-quality data, thereby reducing the time and cost involved in the process. We anticipate that this review would be useful to researchers interested in Artificial Intelligencebased drug development.
开发一种新型药物的过程漫长而昂贵,通常需要多年时间,并且由于成功率低,因此需要承担巨大的财务负担。此外,快速扩展的大量数据的处理和分析需要使用最先进的方法。因此,已经证明可以提高药物发现效率和准确性的人工智能驱动方法越来越受到青睐。
本全面分析旨在概述药物发现和开发的时间表、各种药物设计方法以及人工智能在药物发现的许多方面的应用。
本文探讨了传统的药物开发方法及其缺点,随后介绍了基于人工智能的技术。此外,还详细研究了机器学习和深度学习中使用的先进方法。还介绍了一些大数据研究的示例,这些研究改变了药物发现领域。还介绍了用于构建人工智能/机器学习模型的许多数据库、工具包和软件,以及一些标准模型评估参数。最后,深入研究了机器学习和深度学习在药物发现中的最新进展和用途,以及它们的局限性和未来潜力。
基于人工智能的技术通过利用大量可用的高质量数据来增强决策能力,从而减少了该过程中的时间和成本。我们预计,对于对基于人工智能的药物开发感兴趣的研究人员来说,这篇综述将是有用的。