摘要
定量结构-性质关系研究应用理论计算方法和各种统计分析工具相结合,研究系列化合物的结构与其生物学性质和各种物理化学性质之间的定量函数关系.它不仅可以建立预测化合物的各种物理化学性质以及生物活性的理论,而且还可以发现和确定对化合物的各种性质起决定作用的结构因素,从而在分子水平上了解物质的微观结构对各种宏观性质的影响,在很多领域得到了广泛的应用.主要介绍定量结构-性质关系在分析化学中的应用研究,主要包括在色谱分析、毛细管电泳分析中的应用两大部分.
The quantitative structure-property relationship study applies computational methods and various statistical analysis tools to build the quantitative relationship between the structures of compounds and their properties. It can both build some theory methods to predict the physical-chemical properties and can find the structural features responsible for various propertie. From the built models, we can understand the influence of compound＇s structure to the properties from the molecular level Now, QSPR methods have been widely applied in many fields. We focus on the application of QSPR in analytical chemistry, mainly including the applications in chromatography analysis and capillary electrophoresis analysis.
出处
《分析测试技术与仪器》
CAS
2005年第4期243-249,共7页
Analysis and Testing Technology and Instruments
