拓扑指数在化学化工领域的研究现状  

Research Status of topological index in chemistry and chemical engineering

作　　者：张巍巍[1] 

机构地区：[1]辽宁石油化工大学化学化工与环境学部,辽宁抚顺113001

出　　处：《化学工程师》2015年第3期48-50,共3页Chemical Engineer

摘　　要：拓扑指数是定量构效关系研究领域最常用的方法之一。本文论述了拓扑指数在色谱分析、理化性质预测、对有机污染物进行生态风险评价中的应用。以及三维拓扑指数的研究现状。并对拓扑指数在化学化工领域的研究前景做了展望。Topological index is one of the most common methods of QSPR. This paper discusses the application of the topological indices in chromatographic analysis, prediction of physicochemical property, ecological risk assessment of organic pollutants. The research status of 3D topological indices was discussed. The development direction of topological indices in chemistry and chemical engineering is also prospected.

关 键 词：拓扑指数 定量构效关系 预测 3D 应用 

分 类 号：O6-051[理学—化学]