2014arXiv (Cornell University)Open access

Resolving Share and Topological Index

Muhammad Salman, Imran Javaid, Muhammad Anwar Chaudhry

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Abstract

An atom $a$ of a molecular graph $G$ uniquely determines (resolves) a pair $(a_1,a_2)$ of atoms of $G$ if the distance between $a$ and $a_1$ is different from the distance between $a$ and $a_2$. In this paper, we quantify the involvement of each atom $a$ of $G$ in uniquely determining (resolving) a pair $(a_1,a_2)$ of atoms of $G$, which is called the resolving share of $a$ for the pair $(a_1,a_2)$. Using this quantity, we define a distance-based topological index of a molecular graph, which reflects the topology of that molecular graph according to the resolvability behavior of each of its atom, and is called the resolving topological index. Then we compute the resolving topological index of several molecular graphs.

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An atom $a$ of a molecular graph $G$ uniquely determines (resolves) a pair $(a_1,a_2)$ of atoms of $G$ if the distance between $a$ and $a_1$ is different from the distance between $a$ and $a_2$. In this paper, we quantify the involvement of each atom $a$ of $G$ in uniquely determining (resolving) a pair $(a_1,a_2)$ of atoms of $G$, which is called the resolving share of $a$ for the pair $(a_1,a_2)$. Using this quantity, we define a distance-based topological index of a molecular graph, which reflects the topology of that molecular graph according to the resolvability behavior of each of its atom, and is called the resolving topological index. Then we compute the resolving topological index of several molecular graphs.

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Available abstract

An atom $a$ of a molecular graph $G$ uniquely determines (resolves) a pair $(a_1,a_2)$ of atoms of $G$ if the distance between $a$ and $a_1$ is different from the distance between $a$ and $a_2$. In this paper, we quantify the involvement of each atom $a$ of $G$ in uniquely determining (resolving) a pair $(a_1,a_2)$ of atoms of $G$, which is called the resolving share of $a$ for the pair $(a_1,a_2)$. Using this quantity, we define a distance-based topological index of a molecular graph, which reflects the topology of that molecular graph according to the resolvability behavior of each of its atom, and is called the resolving topological index. Then we compute the resolving topological index of several molecular graphs.

Key concepts: Topological index, Wiener index, Molecular graph, Topology (electrical circuits), Topological graph, Quantitative structure–activity relationship, Graph, Connectivity

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