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

Tharmalingam      Gunasekar; Ponnusamy      Kathavarayan; Ammar      Alsinai; Govindhan      Murugan

doi:10.2174/0113862073274943231211110011

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.

Method: 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..

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Graphical Abstract

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DOI https://dx.doi.org/10.2174/0113862073274943231211110011	Print ISSN 1386-2073
Publisher Name Bentham Science Publisher	Online ISSN 1875-5402

Combinatorial Chemistry & High Throughput Screening

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

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