On Certain Degree Based and Bond-additive Topological Indices of Dodeca-benzo-circumcorenene


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Abstract

Background:Chemical graph theory has been used to mathematically model the various physical and biological aspects of chemical substances. A mathematical formulation that may be applied to any graph and can characterise a molecule structure is known as a topological index or molecular descriptor.

Objective:It is convenient and efficient to analyse the mathematical values and further research on various physical properties of a molecule based on these molecular descriptors. They provide useful alternatives to lengthy, expensive, and labour-intensive laboratory experiments. The topological indices can be used to predict the chemical structures, physicochemical properties, and biological activities using quantitative structure-activity relationships (QSARs) and quantitative structure-property relationships (QSPRs).

Result:In this study, the molecular descriptors of the Dodeca-benzo-circumcorenene compounds are derived based on their corresponding molecular structures.

Conclusion:The computed indices are then compared graphically to study their relationship with the molecular structure and with each other.

About the authors

Tharmalingam Gunasekar

Department of Mathematics, Vel Tech Rangarajan Dr. Sagunthala R & D Institute of Science and Technology

Email: info@benthamscience.net

Ponnusamy Kathavarayan

Department of Mathematics, Vel Tech Rangarajan Dr. Sagunthala R & D Institute of Science and Technology

Email: info@benthamscience.net

Ammar Alsinai

Department of Mathematics, University of Mysore

Author for correspondence.
Email: info@benthamscience.net

Govindhan Murugan

Department of Mathematics, Chennai Institute of Technology (Autonomous)

Email: info@benthamscience.net

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