口服药物递送的建模方法的进步:人工智能,生理学基础的药动力学和第一原则模型
1Department of Applied Mathematics, Israeli Institute for Biological Research, P.O. Box 19, Ness-Ziona 7410001, Israel.
Pharmaceutics
|August 29, 2024
概括
模拟口服药物吸收是复杂而昂贵的. 本综述探讨了数据驱动,基于机制和第一原则的理论模型,作为实验的成本效益较高的替代方案,详细说明了它们的优缺点.
科学领域:
- 药理学和制药科学 药理学和制药科学
- 计算生物学 计算生物学
- 生物物理学的生物物理.
背景情况:
- 口服药物管理是最常见的途径,但吸收是复杂的.
- 影响口服药物吸收的因素包括药物特性,配方和胃肠道生理学.
- 实验的试错是昂贵和耗时的.
研究的目的:
- 为口服药物吸收提供理论建模方法的全面概述.
- 评估不同类型模型的优点和局限性.
- 为了突出该领域最近的进展.
主要方法:
- 理论模型的分类为数据驱动,基于机制和第一原则.
- 复习经典药理动力学,QSAR,机器/深度学习,PBPK,分子动力学和连续模型.
- 包含了用于生理系统建模的部分微分方程的入门.
主要成果:
- 数据驱动模型利用实验数据和机器学习进行预测.
- 基于机制的模型模拟了吸收的生理过程.
- 第一原理模型使用基本物理和化学进行详细的模拟.
结论:
- 理论模型为预测口服药物吸收的实验方法提供了经济有效的替代方案.
- 每个模型类别都有独特的优缺点,需要根据应用程序进行仔细的选择.
- 这些模型的进一步开发和整合可以显著推进药物开发和个性化医疗.
相关概念视频
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