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使用不同实验设计以及来自一项关于固体剂型的盖仑制剂研究的数据,将人工神经网络(ANN)与经典建模技术进行比较。

Comparison of artificial neural networks (ANN) with classical modelling techniques using different experimental designs and data from a galenical study on a solid dosage form.

作者信息

Bourquin J, Schmidli H, van Hoogevest P, Leuenberger H

机构信息

Pharmaceutical and Analytical development, Novartis Pharma AG, CH-4002 Basel, Switzerland.

出版信息

Eur J Pharm Sci. 1998 Oct;6(4):287-301. doi: 10.1016/s0928-0987(97)10025-2.

DOI:10.1016/s0928-0987(97)10025-2
PMID:9795084
Abstract

Artificial Neural Networks (ANN) methodology was used to analyse experimental data from a tabletting study and compared both graphically and numerically to classical modelling techniques (i.e. Response surface methodology, RSM). The aim of this investigation was to describe quantitatively the degree of data fitting achieved and the robustness of the developed models using two types of experimental design (i.e. a statistical, highly organised design and a randomised design). To compare goodness of fit, the R(2) coefficient was used, whereas for the robustness of the models the R(2) coefficient of an independent validation data set was computed. Comparable results were achieved for both ANN and RSM methodology when using the statistical plan. However, the robustness of the models when developed based on a randomised plan was clearly better for the ANN methodology. Based on the results of this study, it appears that the ANN methodology is much less sensitive to the organisational level of a trial design and is therefore better adapted to the data analysis of the results of historical or poorly organised trials. All tablet properties determined were largely influenced by the dwell time during compression as well as by concentration of silica aerogel and magnesium stearate, whereas the other factors showed very much weaker effects.

摘要

采用人工神经网络(ANN)方法对压片研究的实验数据进行分析,并与经典建模技术(即响应面法,RSM)进行图形和数值比较。本研究的目的是使用两种实验设计(即统计高度组织化设计和随机设计)定量描述所实现的数据拟合程度以及所开发模型的稳健性。为了比较拟合优度,使用了R(2)系数,而对于模型的稳健性,则计算独立验证数据集的R(2)系数。使用统计方案时,ANN和RSM方法均取得了可比的结果。然而,基于随机方案开发的模型对于ANN方法而言稳健性明显更好。基于本研究结果,ANN方法似乎对试验设计的组织水平不太敏感,因此更适合对历史或组织不善的试验结果进行数据分析。所测定的所有片剂性质在很大程度上受压缩过程中的停留时间以及二氧化硅气凝胶和硬脂酸镁浓度的影响,而其他因素的影响则非常微弱。

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