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研究使用机器学习来预测药物剂型设计,以获得 3D 打印口服药物所需的理想释放曲线。

Investigations into the use of machine learning to predict drug dosage form design to obtain desired release profiles for 3D printed oral medicines.

机构信息

Institute of Pharmaceutics and Biopharmaceutics, Heinrich Heine University, Düsseldorf, Germany.

Department of Pharmaceutics, Utrecht Institute for Pharmaceutical Sciences, Utrecht University, Utrecht, The Netherlands.

出版信息

Pharm Dev Technol. 2023 Feb;28(2):219-231. doi: 10.1080/10837450.2023.2173778. Epub 2023 Feb 16.

Abstract

Three-dimensional (3D) printing, digitalization, and artificial intelligence (AI) are gaining increasing interest in modern medicine. All three aspects are combined in personalized medicine where 3D-printed dosage forms are advantageous because of their variable geometry design. The geometry design can be used to determine the surface area to volume (SA/V) ratio, which affects drug release from the dosage forms. This study investigated artificial neural networks (ANN) to predict suitable geometries for the desired dose and release profile. Filaments with 5% API load and polyvinyl alcohol were 3D printed using Fused Deposition Modeling to provide a wide variety of geometries with different dosages and SA/V ratios. These were dissolved , and the API release profiles were described mathematically. Using these data, ANN architectures were designed with the goal of predicting a suitable dosage form geometry. Poor accuracies of 68.5% in the training and 44.4% in the test settings were achieved with a classification architecture. However, the SA/V ratio could be predicted accurately with a mean squared error loss of only 0.05. This study shows that the prediction of the SA/V ratio using AI works, but not of the exact geometry. For this purpose, a global database could be built with a range of geometries to simplify the prescription process.

摘要

三维(3D)打印、数字化和人工智能(AI)在现代医学中越来越受到关注。这三个方面都结合在个性化医学中,其中 3D 打印剂型由于其可变的几何设计而具有优势。几何设计可用于确定表面积与体积(SA/V)比,这会影响剂型中的药物释放。本研究调查了人工神经网络(ANN)来预测适合所需剂量和释放曲线的几何形状。使用熔融沉积建模(Fused Deposition Modeling)用 5%API 负载和聚乙烯醇打印的细丝,可提供具有不同剂量和 SA/V 比的各种不同几何形状。这些细丝溶解后,API 释放曲线通过数学进行描述。使用这些数据,设计了 ANN 架构,旨在预测合适的剂型几何形状。分类架构在训练中达到了 68.5%的较差精度,在测试中达到了 44.4%的精度。但是,SA/V 比的预测精度很高,均方误差损失仅为 0.05。本研究表明,使用 AI 预测 SA/V 比是可行的,但无法准确预测确切的几何形状。为此,可以构建一个具有各种几何形状的全球数据库,以简化处方过程。

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