Computing Connection-Based Zagreb Indices of Molecular Structures

Abstract

Topological indices (TIs), the numerical parameters which link a number with a molecular graph,
are broadly utilized in mathematical chemistry and chemical graph theory as molecular descriptors to
characterize the topology of chemical structures such as nanotubes, neural networks and dendrimers with
respect to their certain chemical properties, namely, low cytotoxicity, chemical stability and solubility.
Dendrimers are prolonged artificially manufactured natural macromolecules with a successive layer of
branches surrounded by a central core. TIs are classified into three main classes named as polynomial,
distance and degree-based TIs. Wiener pioneered the first distance-based TI, which was examined as
an essential TI for preserving the psychochemical features of chemical compounds. After that, degreebased TI was explored to calculate the π- electron energy of molecules. Recently, it has been discovered
that connection number (CN) based TIs are more effective than a degree and distance-based TIs. In
this manuscript, we calculate the ZIs based on CNs for the most significant type of dendrimer, namely,
tetrathiafulvalence dendrimer