拓扑指数法在QSPR研究中的应用  

Application of Topological Index Method in QSPR

作　　者：张晶[1] 赫敏[1] 杨林[1] 

机构地区：[1]青海师范大学化学系,青海西宁810008

出　　处：《江汉大学学报（自然科学版）》2012年第6期38-41,共4页Journal of Jianghan University：Natural Science Edition

基　　金：青海省科技厅项目(2009-Z-719)

摘　　要：目前拓扑指数方法在定量构效关系(QSPR)研究中属活跃领域。简述了Wiener指数、Ran dic-Kier指数、Hosoya指数等拓扑指数,介绍了拓扑指数在定量构效关系研究、物化性质研究、药物设计研究、环境污染预测等方面的应用。表明拓扑指数法在QSPR研究中取得显著效果,具有良好的应用前景和实用价值。Topological index method in the study of QSPR is a very active field at present. Briefly describes the Wiener index, Randic-Kier index, Hosoya index such topological index. The applications of topological index in QSPR is researched, such as quantitative structure-activity relationship, physical and chemical properties, drug design research, environmental pollution prediction are summarized. The topological index method has made significant effect in QSPR research. It has a good application prospect and practical value.

关 键 词：拓扑指数法 QSPR 应用 

分 类 号：O65[理学—分析化学]