Quantitative structure-property relationship research of main group compounds

被引：1
|
作者：
Lei Kelin [1 ]
Wang Zhendong
机构：
[1] Xiangfan Univ, Dept Chem, Xiangfan 441053, Peoples R China
[2] Wuhan Univ Sci & Engn, Wuhan 430074, Peoples R China
来源：
JOURNAL OF WUHAN UNIVERSITY OF TECHNOLOGY-MATERIALS SCIENCE EDITION | 2006年 / 21卷 / 03期
关键词：
vertex connectivity topological index; distance; main group compounds; QSPR;
D O I：
暂无
中图分类号：
T [工业技术];
学科分类号：
08 ;
摘要：
New approaches were applied to improve the molecular connectivity indices X-m(v). The vertex valence is redefined and it was reasonable for hydrogen atom. The distances between vertices were used to propose novel connectivity topological indexes. The vertices and the distances in a molecular graph were taken into account in this definition. The linear regression was used to develop. the structural property models. The results indicate that the novel connectivity topological indexes are useful model parameters for Quantitative Structure-Property Relationship (QSPR) analysis.
引用
收藏
页码：172 / 173
页数：2
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