Advances and Applications of Quantitative Structure-Property/Activity Relationship in Analytical and Environmental Chemistry
Xiaoquan Lu · Journal of Analytical Science · 2011
The quantitative structure-property/activity relationship(QSPR/QSAR) study applies computational methods and various statical analysis tools to building 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 find the structural features responsible for various properties.From the built models,the influence of compounds structure to the properties from the molecular level can be understood.In this paper,the development and application in analytical and environmental chemistry of QSPR/QSAR are reviewed.