Investigation molecular structure of anticancer drug with topological indices.

ABSTRACT

A crucial consideration in examining the physicochemical characteristics of chemical compound structures is topological indices. In addition, topological indices will serve as a description of a molecule under test by translating each molecule's structure into a real number. In this paper, we calculate topological indices [Formula see text] and [Formula see text] for anticancer drugs, where da is the degree of vertex a in graph G and 0≠α,ß∈R. By choosing of parameters α and ß, some of new/old results for topological indices are obtained. The results of this study may assist to chemists in identifying the chemical, physical and biological activity associated with them.