目前,人工智能(AI)机器学习(ML)深度学习(DL)在许多领域获得了越来越多的兴趣,特别是在药物研究和开发方面,他们在复杂情况下协助决策。大量的研究和进步已经证明了这些计算技术如何用于各种药物研究和开发方面,包括药物发现,个性化医疗,药物制剂,优化,预测,药物相互作用,药代动力学/药效学,质量控制/质量保证,和制造工艺。使用先进的建模技术,这些计算技术可以提高效率和准确性,处理复杂的数据,并在几分钟内促进新的发现。此外,这些技术提供了一些优于传统统计的优势。它们允许从复杂的数据集中进行模式识别,和模型,通常是从数据驱动算法开发的,可以从一组特征(模型输入)预测给定的结果(模型输出)。此外,这篇综述讨论了新兴趋势,并提供了有关AI与设计质量(QbD)的应用以及AI在该领域的未来作用的观点。还研究了与将AI整合到制药技术中相关的道德和监管考虑因素。这篇综述旨在为研究人员提供见解,专业人士,和其他人关于AI在制药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。
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.