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人工神经网络在模拟流体动力学平衡系统中的药物释放曲线方面的应用。

Artificial neural networks in the modeling of drugs release profiles from hydrodynamically balanced systems.

作者信息

Mendyk Aleksander, Jachowicz Renata, Dorozyński Przemysław

机构信息

Dept. of Pharmaceutical Technology and Biopharmaceutics, Faculty of Pharmacy, Collegium Medicum, Jagiellonian University, Kraków, 9 Medyczna Str., 30-688 Kraków, Poland.

出版信息

Acta Pol Pharm. 2006 Jan-Feb;63(1):75-80.

Abstract

Artificial neural networks (ANNs) were used as modeling tools for prediction of various drugs release patterns from hydrodynamically balanced systems (HBS) composed with Metholose 90SH (hydroxypropylmethylcellulose--HPMC). The objective was to provide predictive and data-mining models of analyzed problem. It was found that ANNs are capable to accurately predict release patterns of different drugs from HBS based on the description of the formulation as well as chemical structure of the drug. Overall generalization error RMSE was 8.7 and after inclusion of pilot study in learning dataset it decreased to ca. 4.5. Sensitivity analysis of ANNs was applied to reduce native input vector from 77 to 7 inputs in order to improve the performance of predictive models. Simultaneously, it revealed crucial variables governing release of drugs from HBS.

摘要

人工神经网络(ANNs)被用作建模工具,以预测由甲基纤维素90SH(羟丙基甲基纤维素——HPMC)组成的流体动力学平衡系统(HBS)中各种药物的释放模式。目的是提供所分析问题的预测模型和数据挖掘模型。研究发现,基于制剂描述以及药物的化学结构,人工神经网络能够准确预测不同药物从流体动力学平衡系统中的释放模式。总体泛化误差均方根误差(RMSE)为8.7,在学习数据集中纳入初步研究后,该误差降至约4.5。应用人工神经网络的敏感性分析,将原始输入向量从77个减少到7个,以提高预测模型的性能。同时,它揭示了控制药物从流体动力学平衡系统中释放的关键变量。

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