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一种用于预测微流控中纳米颗粒尺寸的生成对抗网络方法。

A Generative Adversarial Network Approach to Predict Nanoparticle Size in Microfluidics.

作者信息

Mihandoost Sara, Rezvantalab Sima, M Pallares Roger, Schulz Volkmar, Kiessling Fabian

机构信息

Electrical Engineering Department, Urmia University of Technology, Urmia 57166-419, Iran.

Chemical Engineering Department, Urmia University of Technology, Urmia 57166-419, Iran.

出版信息

ACS Biomater Sci Eng. 2025 Jan 13;11(1):268-279. doi: 10.1021/acsbiomaterials.4c01423. Epub 2024 Dec 12.

DOI:10.1021/acsbiomaterials.4c01423
PMID:39665629
Abstract

To achieve precise control over the properties and performance of nanoparticles (NPs) in a microfluidic setting, a profound understanding of the influential parameters governing the NP size is crucial. This study specifically delves into poly(lactic--glycolic acid) (PLGA)-based NPs synthesized through microfluidics that have been extensively explored as drug delivery systems (DDS). A comprehensive database, containing more than 11 hundred data points, is curated through an extensive literature review, identifying potential effective features. Initially, we employed a tabular generative adversarial network (TGAN) to enhance data sets, increasing the reliability of the obtained results and elevating prediction accuracy. Subsequently, NP size prediction was performed using different machine learning (ML) techniques including decision tree (DT), random forest (RF), deep neural networks (DNN), linear regression (LR), support vector regression (SVR), and gradient boosting (GB). Among these ensembles, DT emerges as the most accurate algorithm, yielding an average prediction error of 8%. Further simulations underscore the pivotal role of the synthesis method, poly(vinyl alcohol) (PVA) concentration, and lactide-to-glycolide (LA/GA) ratio of PLGA copolymers as the primary determinants influencing NP size.

摘要

为了在微流体环境中实现对纳米颗粒(NPs)性质和性能的精确控制,深入了解影响NP尺寸的参数至关重要。本研究具体深入探讨了通过微流体合成的聚乳酸-乙醇酸共聚物(PLGA)基纳米颗粒,这些纳米颗粒作为药物递送系统(DDS)已被广泛研究。通过广泛的文献综述建立了一个包含1100多个数据点的综合数据库,确定了潜在的有效特征。最初,我们使用表格生成对抗网络(TGAN)来增强数据集,提高所得结果的可靠性并提升预测准确性。随后,使用不同的机器学习(ML)技术进行NP尺寸预测,包括决策树(DT)、随机森林(RF)、深度神经网络(DNN)、线性回归(LR)、支持向量回归(SVR)和梯度提升(GB)。在这些方法中,DT是最准确的算法,平均预测误差为8%。进一步的模拟强调了合成方法、聚乙烯醇(PVA)浓度以及PLGA共聚物的丙交酯与乙交酯(LA/GA)比例作为影响NP尺寸的主要决定因素的关键作用。

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