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人工智能驱动的药物研发新时代:综述。

The Artificial Intelligence-Powered New Era in Pharmaceutical Research and Development: A Review.

机构信息

Pharmaceutical Development of Green Innovations Group (PDGIG), Department of Industrial Pharmacy, Faculty of Pharmacy, Silpakorn University, Nakhon Pathom, Thailand.

出版信息

AAPS PharmSciTech. 2024 Aug 15;25(6):188. doi: 10.1208/s12249-024-02901-y.

Abstract

Currently, artificial intelligence (AI), machine learning (ML), and deep learning (DL) are gaining increased interest in many fields, particularly in pharmaceutical research and development, where they assist in decision-making in complex situations. Numerous research studies and advancements have demonstrated how these computational technologies are used in various pharmaceutical research and development aspects, including drug discovery, personalized medicine, drug formulation, optimization, predictions, drug interactions, pharmacokinetics/ pharmacodynamics, quality control/quality assurance, and manufacturing processes. Using advanced modeling techniques, these computational technologies can enhance efficiency and accuracy, handle complex data, and facilitate novel discoveries within minutes. Furthermore, these technologies offer several advantages over conventional statistics. They allow for pattern recognition from complex datasets, and the models, typically developed from data-driven algorithms, can predict a given outcome (model output) from a set of features (model inputs). Additionally, this review discusses emerging trends and provides perspectives on the application of AI with quality by design (QbD) and the future role of AI in this field. Ethical and regulatory considerations associated with integrating AI into pharmaceutical technology were also examined. This review aims to offer insights to researchers, professionals, and others on the current state of AI applications in pharmaceutical research and development and their potential role in the future of research and the era of pharmaceutical Industry 4.0 and 5.0.

摘要

目前,人工智能(AI)、机器学习(ML)和深度学习(DL)在许多领域引起了越来越多的关注,特别是在药物研发领域,它们在复杂情况下协助决策。大量研究表明,这些计算技术可用于药物研发的各个方面,包括药物发现、个性化医疗、药物配方、优化、预测、药物相互作用、药代动力学/药效动力学、质量控制/质量保证和制造工艺。这些计算技术通过使用先进的建模技术,可以提高效率和准确性,处理复杂的数据,并在数分钟内促进新的发现。此外,与传统统计学相比,这些技术具有许多优势。它们可以从复杂的数据集进行模式识别,并且模型通常由数据驱动的算法开发,可以根据一组特征(模型输入)预测给定的结果(模型输出)。此外,本文还讨论了新兴趋势,并探讨了人工智能在质量源于设计(QbD)中的应用和未来在该领域的作用。还研究了将人工智能集成到药物技术中所涉及的伦理和监管问题。本文旨在为研究人员、专业人员和其他人员提供有关人工智能在药物研发中的应用现状及其在未来研究和制药工业 4.0 和 5.0 时代的潜在作用的见解。

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