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Journal of the Serbian Chemical Society
Article . 2002 . Peer-reviewed
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Journal of the Serbian Chemical Society
Article
License: CC BY NC ND
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Upgrading the Wiener index

Authors: Castro, Eduardo Alberto; Gutman, Ivan; Marino, Damián José Gabriel; Peruzzo, Pablo José;

Upgrading the Wiener index

Abstract

The Wiener index Wis the oldest molecular-graph-based structure-descriptor. It is defined as the sum of the distances of all pairs of vertices of the molecular graph G, where the distance is the number of edges in the shortest path connecting the respective vertices, and where G is the hydrogen-depleted molecular graph. This seemingly very simple topological index could be "upgraded" (a) by using as the distance the sum of the bond lengths along the shortest path, or (b) by using the Euclidean distance between the respective pairs of atoms. Each of these "upgraded" Wiener indices could be computed either (?) for the hydrogen- depleted or (?) for the hydrogen-filled molecular graph. We provide examples showing that none of the modifications (a?), (a?), (b?), (b?) yields better results than the ordinary Wiener index, and that there is a very good linear correlation between W and its "upgraded" variants.

Country
Argentina
Related Organizations
Keywords

geometry, chemical graph theory, QSAR, correlation analysis, Química, wiener index, 3D-structure descriptors, Wiener index, Chemistry, QSPR, topological index, 3d-structure descriptors, chemical bond, QD1-999, Ciencias Exactas, mathematical model

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
5
Average
Average
Average
Green
Published in a Diamond OA journal