Java-based Program for Computing the Wiener Index of a Body - Centered Cubic Graph

Abstract

In chemical graph theory, Wiener index is a topological index of a molecule. The Wiener index of a graph G is equal to the sum of distances between all pairs of distinct vertices of G. It has been one of main descriptors that correlate a chemical compound’s molecular graph with experimentally gathered data regarding the compound’s characteristics. In this paper we calculate the Wiener index for body-centered cubic grid connected in a line. A Java-based program is designed to automatically compute the distances between centers, centers and border vertices, border vertices and the sum of all distances (Wiener index) for such grid.