Artificial Intelligence-Driven Innovations in Pharmaceutical Development and Drug Delivery Systems.

IF 2.9 4区医学 Q3 CHEMISTRY, MEDICINAL

Current topics in medicinal chemistry Pub Date : 2025-04-24 DOI:10.2174/0115680266373236250411060857

Ting Zhu, Bing Liu, Ning Chen, Yuchen Liu, Zixuan Wang, Xue Tian

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引用次数: 0

Abstract

As Artificial Intelligence (AI) technology rapidly advances, its application in pharmaceutical formulation design and Drug Delivery Systems (DDS) is expanding, revealing significant potential. AI technology has played a role in optimizing drug design, enhancing research and development efficiency, and improving the safety profiles of pharmaceutical products, thereby supporting the realization of personalized medicine. This article systematically examines the foundational applications and principles of AI in pharmaceutical formulation, while also evaluating its role in key areas such as drug development, manufacturing, quality control, and ADME/T (absorption, distribution, metabolism, excretion, and toxicity) prediction. In particular, AI can enhance prediction accuracy for drug solubility, stability, and bioavailability, while optimizing novel DDS through Machine Learning (ML) models, such as nanocarrier design and personalized drug release control. Furthermore, AI has been pivotal in advancing intelligent manufacturing technologies, including three-dimensional printing (3D printing) and continuous manufacturing. Finally, the article explores the opportunities and challenges presented by AI in drug development, regulation, and policymaking. Overall, AI's integration promises to revolutionize pharmaceutical development and regulatory practices.

查看原文本刊更多论文

药物开发和药物输送系统中的人工智能驱动创新。

随着人工智能（AI）技术的快速发展，其在药物配方设计和给药系统（DDS）中的应用不断扩大，显示出巨大的潜力。人工智能技术在优化药物设计、提高研发效率、提高药品安全性等方面发挥了重要作用，支持了个性化医疗的实现。本文系统地探讨了人工智能在药物配方中的基本应用和原理，同时也评估了人工智能在药物开发、制造、质量控制和ADME/T（吸收、分布、代谢、排泄和毒性）预测等关键领域的作用。特别是，人工智能可以提高药物溶解度、稳定性和生物利用度的预测精度，同时通过机器学习（ML）模型优化新型DDS，如纳米载体设计和个性化药物释放控制。此外，人工智能在推进智能制造技术方面发挥了关键作用，包括三维打印（3D打印）和连续制造。最后，本文探讨了人工智能在药物开发、监管和政策制定方面带来的机遇和挑战。总的来说，人工智能的整合有望彻底改变药物开发和监管实践。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Current topics in medicinal chemistry 医学-医药化学

CiteScore

6.40

自引率

2.90%

发文量

186

审稿时长

3-8 weeks

期刊介绍： Current Topics in Medicinal Chemistry is a forum for the review of areas of keen and topical interest to medicinal chemists and others in the allied disciplines. Each issue is solely devoted to a specific topic, containing six to nine reviews, which provide the reader a comprehensive survey of that area. A Guest Editor who is an expert in the topic under review, will assemble each issue. The scope of Current Topics in Medicinal Chemistry will cover all areas of medicinal chemistry, including current developments in rational drug design, synthetic chemistry, bioorganic chemistry, high-throughput screening, combinatorial chemistry, compound diversity measurements, drug absorption, drug distribution, metabolism, new and emerging drug targets, natural products, pharmacogenomics, and structure-activity relationships. Medicinal chemistry is a rapidly maturing discipline. The study of how structure and function are related is absolutely essential to understanding the molecular basis of life. Current Topics in Medicinal Chemistry aims to contribute to the growth of scientific knowledge and insight, and facilitate the discovery and development of new therapeutic agents to treat debilitating human disorders. The journal is essential for every medicinal chemist who wishes to be kept informed and up-to-date with the latest and most important advances.