A topological index based on distances of edges of molecular graphs

被引：21

作者：

Estrada, E ^{[1
]}

Gutman, I ^{[1
]}

机构：

[1] ATTILA JOZSEF UNIV,INST CHEM PHYS,H-6701 SZEGED,HUNGARY

来源：

JOURNAL OF CHEMICAL INFORMATION AND COMPUTER SCIENCES | 1996年 / 36卷 / 04期

关键词：

D O I：

10.1021/ci9600115

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

A novel molecular topological index MTI(E) is proposed, based on edge-distances in molecular graphs, Edge-distances in a graph are equal to distances between vertices of the respective line graph. A simple relation is found between edge-distances and the distances between the vertices;that are incident to the respective edges. MTI(E) is defined in analogy to the graph theoretical invariant of Schultz (Schultz, H. P. J. Chem. Inf. Comput. Sci. 1989, 29, 227-228). It has integer values and is easy to compute. MTI(E) is found to be well correlated with the heats of formation of alkanes.

引用

页码：850 / 853

页数：4

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