A study on molecular topologicalcharacterization of certain Chemical structures

Abstract

Chemical graph theory has given chemists a significant area of study in which they can apply graph theory to mathematical demonstrations of chemical phenomena. Graph theory techniques are typically used to estimate structural features to establish quantitative structure-activity correlations. Topological descriptions of chemical structures with required attributes could be used to categorize molecules and simulate unknown structures. Chemical graphs are commonly used to demonstrate molecules and molecular compounds. A molecular graph is a representation of the structural formula of chemical compounds in graph theory. Topological indices (TIs) are numerals that map the molecular graphs that can enhance specialists comprehension of physical features, chemical reactivity, and biological activity. The cut process is valuable for growing quick calculations for processing distance-based topological indices. newlinePolycyclic aromatic compounds are highly interested in potential semiconducting materials for organic field-effect transistors, light-emitting diodes, and solar panels. The chemical and biological characteristics of polycyclic aromatic hydrocarbons rely individually upon their structures, also the fundamental molecular topology. For anticipating features of polycyclic aromatic compounds and accompanying graphs from respective structures, quantitative structure-activity and property relationship (QSAR/QSPR) techniques have been established. Recent interest in graphene-based nanotubes and nanomaterials has sparked a renewed interest in PAH research newline