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机器学习与体外实验相结合用于研究聚乳酸-羟基乙酸共聚物纳米颗粒的药物释放

Machine learning integrated with in vitro experiments for study of drug release from PLGA nanoparticles.

作者信息

Sun Yu, Qin Shuhuai, Li Yingli, Hasan Naimul, Li Yan Vivian, Liu Jiangguo

机构信息

School of Materials Science and Engineering, Colorado State University, Fort Collins, CO, 80523-1617, USA.

Department of Mathematics, Colorado State University, Fort Collins, CO, 80523-1874, USA.

出版信息

Sci Rep. 2025 Feb 4;15(1):4218. doi: 10.1038/s41598-024-82728-6.

Abstract

This paper investigates delivery of encapsulated drug from poly lactic-co-glycolic micro-/nano-particles. Experimental data collected from about 50 papers are analyzed by machine learning algorithms including linear regression, principal component analysis, Gaussian process regression, and artificial neural networks. The focus is to understand the effect of drug solubility, drug molecular weight, particle size, and pH-value of the release matrix/environment on drug release profiles. The results obtained from machine learning is then used as guidelines for designing new in vitro experiments to examine dependence of drug release profiles on those four factors. It is interesting to see that indeed the results of the new in vitro experiments are in basic agreement with the results obtained from machine learning.

摘要

本文研究了聚乳酸-乙醇酸微/纳米颗粒包封药物的释放。通过包括线性回归、主成分分析、高斯过程回归和人工神经网络在内的机器学习算法,对从约50篇论文中收集的实验数据进行了分析。重点是了解药物溶解度、药物分子量、粒径以及释放基质/环境的pH值对药物释放曲线的影响。然后,将机器学习得到的结果用作设计新的体外实验的指导方针,以研究药物释放曲线对这四个因素的依赖性。有趣的是,新的体外实验结果确实与机器学习得到的结果基本一致。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/ac28/11794646/c2d27b0bc0a1/41598_2024_82728_Fig1_HTML.jpg

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