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基于神经网络的药物制剂优化。

Neural network based optimization of drug formulations.

作者信息

Takayama Kozo, Fujikawa Mikito, Obata Yasuko, Morishita Mariko

机构信息

Department of Pharmaceutics, Hoshi University, Ebara 2-4-41, Shinagawa, Tokyo 142-8501, Japan.

出版信息

Adv Drug Deliv Rev. 2003 Sep 12;55(9):1217-31. doi: 10.1016/s0169-409x(03)00120-0.

Abstract

A pharmaceutical formulation is composed of several formulation factors and process variables. Several responses relating to the effectiveness, usefulness, stability, as well as safety must be optimized simultaneously. Consequently, expertise and experience are required to design acceptable pharmaceutical formulations. A response surface method (RSM) has widely been used for selecting acceptable pharmaceutical formulations. However, prediction of pharmaceutical responses based on the second-order polynomial equation commonly used in an RSM, is often limited to low levels, resulting in poor estimations of optimal formulations. The purpose of this review is to describe the basic concept of the multi-objective simultaneous optimization technique, in which an artificial neural network (ANN) is incorporated. ANNs are being increasingly used in pharmaceutical research to predict the nonlinear relationship between causal factors and response variables. Superior function of the ANN approach was demonstrated by the optimization for typical numerical examples.

摘要

药物制剂由多个制剂因素和工艺变量组成。必须同时优化与有效性、实用性、稳定性以及安全性相关的多个响应。因此,设计可接受的药物制剂需要专业知识和经验。响应面法(RSM)已被广泛用于选择可接受的药物制剂。然而,基于RSM中常用的二阶多项式方程对药物响应进行预测,通常仅限于低水平,导致对最佳制剂的估计不佳。本综述的目的是描述多目标同时优化技术的基本概念,其中纳入了人工神经网络(ANN)。人工神经网络在药物研究中越来越多地用于预测因果因素和响应变量之间的非线性关系。通过对典型数值示例的优化,证明了人工神经网络方法的优越功能。

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