本文關(guān)鍵詞：化學(xué)計量學(xué)-光譜法在藥物分析中的應(yīng)用進(jìn)展，由筆耕文化傳播整理發(fā)布。

化學(xué)計量學(xué)-光譜法在藥物分析中的應(yīng)用進(jìn)展

Progress on application of chemometrics-spectrometry in pharmaceutical analysis

[1] [2] [3] [4]

WEI Xue-min,WU Qian,LIU Qiang,LI Yan-wei（College of Chemistry and Chemical Engineering,Taiyuan University of Technology,Taiyuan 030024,China）

太原理工大學(xué)化學(xué)化工學(xué)院,太原030024

文章摘要：化學(xué)計量學(xué)是數(shù)學(xué)和統(tǒng)計學(xué)、化學(xué)及計算機(jī)科學(xué)三者相互交源而形成的一門邊緣接口科學(xué)。近年來,隨著計算機(jī)科學(xué)的發(fā)展,化學(xué)計量學(xué)越來越受到人們的重視,尤其是對于復(fù)雜藥物體系可不經(jīng)分離通過設(shè)計或選擇最優(yōu)量測程序和試驗方法,以及解析化學(xué)量測數(shù)據(jù)得到分析。它與紫外光譜、近紅外光譜和紅外光譜等光譜法相結(jié)合所構(gòu)建的化學(xué)計量學(xué)-光譜法分析技術(shù),廣泛應(yīng)用于化學(xué)合成藥和中藥的質(zhì)量分析、安全性監(jiān)測及評價等領(lǐng)域。本文綜述了近幾年基于偏最小二乘、經(jīng)典最小二乘、主成分回歸、多元線性回歸、支持向量機(jī)算法、因子分析、卡爾曼濾波、小波轉(zhuǎn)換、徑向基人工神經(jīng)網(wǎng)絡(luò)、誤差反向傳播算法、遺傳算法等化學(xué)計量學(xué)方法分別與不同的光譜法相結(jié)合在藥物分析方面的應(yīng)用研究情況。

Abstr：Chemometrics is an interdisciplinary science involving mathematics and statistics,chemistry and computer science.In recent years,chemometrics have gained more attention along with the development of computer science.It can be used for analysis of complex drug systems by designing or selecting the optimal analytical procedure and methods,and analyzing the measured data without separation.Chemometrics-spectrometry analytical techniques which combine chemometrics with ultraviolet spectrophotometry,near-infrared spectroscopy,infrared spectroscopy,and other spectrometric methods are widely used in many fields concerning chemical synthetic drugs and Traditional Chinese Medicines,such as quality analysis,safety monitoring,valuation and so on.This paper reviews the recent application of different spectroscopic methods combining with chemometric methods of partial least squares,classical least squares,principal component regression,multiple linear regression,least square support vector machine,factor analysis,kalamn filter,wavelet transform,radial basis function artificial neuralnetwork,error back propagation algorithm,genetic algorithm and so on in pharmaceutical analysis.

文章關(guān)鍵詞：

Keyword：:chemometrics spectrometry chemical synthetic drugs traditional Chinese medicines pharmaceutical analytical techinques review

課題項目：山西省自然科學(xué)基金項目資助（No.2011011010-1）

作者信息：會員可見

  本文關(guān)鍵詞：化學(xué)計量學(xué)-光譜法在藥物分析中的應(yīng)用進(jìn)展，，由筆耕文化傳播整理發(fā)布。