人工智能助力口服制剂开发的研究进展  

Research Progress of Artificial Intelligence-assisted Development in Oral Formulations.

作　　者：赵璐卓 王建新[1] 盛剑勇[1] ZHAO Luzhuo;WANG Jianxin;SHENG Jianyong(Key Lab.of Smart Drug Delivery(Fudan University),Ministry of Education and PLA,Dept.of Pharmaceutics,School of Pharmacy,Fudan University,Shanghai 201203)

机构地区：[1]复旦大学药学院药剂学系,智能化递药教育部及全军重点实验室(复旦大学),上海201203

出　　处：《中国医药工业杂志》2024年第6期761-769,819,共10页Chinese Journal of Pharmaceuticals

摘　　要：口服是目前最常用的给药途径。口服制剂的处方和制备工艺通过合理设计和优化,可以起到对药物的增溶、缓控释等效果,从而实现提高口服生物利用度、增效、减毒或个性化给药。然而,目前药物制剂的处方和制备工艺优化仍高度依赖于传统的试错试验和经验数据,既耗时、费力、成本高,又难以预测。近年来蓬勃发展的人工智能技术有望实现口服制剂处方的高效、系统设计。基于已有的口服制剂实验数据,通过人工智能建立预测模型,可达到预测口服制剂相关指标和优化口服制剂处方和工艺参数的目的。文章总结了人工智能辅助口服制剂开发的基本原理和应用,对人工智能在口服制剂领域的应用前景进行探讨和展望,为人工智能进一步加速药物制剂研发提供参考。Oral administration is by far the most commonly used route of drug administration.Through the rational design and optimization of oral formulations and their preparation processes,increase of solubility,sustained-and controlled-release of drugs can be achieved,resulting in improved oral bioavailability,enhanced efficacy,reduced toxicity or personalized drug delivery.However,the current formulation and preparation process optimization of oral formulations is stil highly dependent on traditional trial-and-error experiments and empirical data,which is time-consuming,laborious,costly,and hardly predictable.Artificial intelligence(Al)technology,which has flourished in recent years,is expected to enable efficient and systematic design of oral formulations.Based on the existing experimental data for oral preparations,a prediction model can be established through AI to predict the relevant indicators of oral preparations and optimize the process parameters of oral preparations.This review summarizes the basic principles and applications of Al-assisted development in oral formulations,discusses and offers prospects on the applications of AI in the field of oral formulations,and provides a reference for accelerating further research and development of pharmaceutical preparations with AI technology.

关 键 词：人工智能 机器学习 药物制剂 口服制剂 处方设计 预测 研究进展 

分 类 号：TP29[自动化与计算机技术—检测技术与自动化装置] R943[自动化与计算机技术—控制科学与工程]