Generalizations of Wiener polarity index and terminal Wiener index

DOI10.1007/S00373-012-1215-6zbMATH Open1272.05039arXiv1106.2986OpenAlexW2089482534MaRDI QIDQ367047FDOQ367047

Authors: Aleksandar Ilić, Milovan Ilić 

Publication date: 26 September 2013

Published in: Graphs and Combinatorics (Search for Journal in Brave)

Abstract: In theoretical chemistry, distance-based molecular structure descriptors are used for modeling physical, pharmacologic, biological and other properties of chemical compounds. We introduce a generalized Wiener polarity index $W_k(G)$ as the number of unordered pairs of vertices $u,v$ of $G$ such that the shortest distance $d(u,v)$ between $u$ and $v$ is $k$ (this is actually the $k$-th coefficient in the Wiener polynomial). For $k=3$, we get standard Wiener polarity index. Furthermore, we generalize the terminal Wiener index $T{W}_k(G)$ as the sum of distances between all pairs of vertices of degree $k$. For $k=1$, we get standard terminal Wiener index. In this paper we describe a linear time algorithm for computing these indices for trees and partial cubes, and characterize extremal trees maximizing the generalized Wiener polarity index and generalized terminal Wiener index among all trees of given order $n$.

Full work available at URL: https://arxiv.org/abs/1106.2986

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zbMATH Keywords

graph algorithmWiener indexpartial cubeWiener polarity indexdistance in graphsterminal Wiener index

Mathematics Subject Classification ID

Distance in graphs (05C12) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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• Counterexamples to conjectures on graph distance measures based on topological indexes
• On the generalized Wiener polarity index of trees with a given diameter
• Hyper-Wiener and Wiener polarity indices of silicate and oxide frameworks
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