✦ LIBER ✦

Modification of the Wiener index 4

✍ Scribed by Feng Yang; Zhen-Dong Wang; Yun-Ping Huang

Publisher: John Wiley and Sons
Year: 2004
Tongue: English
Weight: 97 KB
Volume: 25
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.20016

No coin nor oath required. For personal study only.

✦ Synopsis

A novel topological index W(F) is defined by the matrices X, W, and L as W(F) = XWL. Where L is a column vector expressing the characteristic of vertices in the molecule; X is a row vector expressing the bonding characteristics between adjacent atoms; W is a reciprocal distance matrix. The topological index W(F), based on the distance-related matrix of a molecular graph, is used to code the structural environment of each atom type in a molecular graph. The good QSPR/QSAR models have been obtained for the properties such as standard formation enthalpy of inorganic compounds and methyl halides, retention indices of gas chromatography of multiple bond-containing hydrocarbons, aqueous solubility, and octanol/water partition of benzene halides. These models indicate that the idea of using multiple matrices to define the modified Wiener index is valid and successful.

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