Degree-Sum Based Topological Indices of Supercoronene and Triangle-Shaped Discotic Graphene Using NM-Polynomial

Abstract

The structural features of polycyclic aromatic compounds, like the fundamental molecular topology, strongly influence their chemical and biological properties. Quantitative structure-activity and property relationship (QSAR/QSPR) techniques for predicting characteristics of polycyclic aromatic compounds (PAC) and related graphs from chemical structures have been developed in this approach. To obtain degree-based topological indices, we have many polynomials. The neighborhood M-polynomial is one of these polynomials used to produce several topological indices based on neighborhood degree sum. In this study, we offer the exact analytical expressions of neighborhood M-polynomial and their corresponding topological indices for supercoronene (SC), cove-hexabenzocoronene (cHBC), and triangular-shaped discotic graphene (TDG) with hexabenzocorenene (HBC) as the base molecule. The findings could help with the development of characteristic physicochemical prediction.

Keywords:

• Topological index
• neighborhood M-polynomial
• supercoronene
• cove-hexabenzocoronene
• triangular-shaped discotic graphene

Authors’ contributions

SG: Conceptualization; writing-original draft; validation. SR: Supervision; validation; conceptualization.

Disclosure statement

No potential conflict of interest was reported by the author(s).

Data availability statement

No data associated in the manuscript.