Gourava  2-Distance Degree Indices and  QSPR Analysis of Alkanes

Sunita Priya  D'Silva; Kunjaru Mitra; Chandrakala S B; Sooryanarayana B; Vishukumar M

doi:10.5269/bspm.80001

Sunita Priya D'Silva Department of Mathematics, Sahyadri College of Engineering and Management, Mangaluru, https://orcid.org/0000-0003-4767-5251
Kunjaru Mitra Department of Mathematics, Mangalore Institute of Technology & Engineering , Mangaluru https://orcid.org/0000-0002-6710-4344
Chandrakala S B Department of Mathematics, Nitte Meenakshi Institute of Technology, NITTE (Deemed to be University) https://orcid.org/0000-0002-4868-4187
Sooryanarayana B Nitte Meenakshi Institute of Technology, NITTE (Deemed to be University), Bengaluru https://orcid.org/0000-0002-2835-2855
Vishukumar M School of Applied Sciences, REVA University https://orcid.org/0000-0003-0719-3637

Résumé

In mathematical chemistry, molecules are often represented as graphs and from these graphs, Topological indices(TIs) are derived, which are numerical values encoding structural information. TIs are introduced by Gutman and Trinajstić based on the degrees of the vertices and on distance between the vertices. QSPR analysis establishes correlations between TIs and measurable phisicochemical properties. In this paper, few generalized topological indices are defined using the 2-distance degree of the vertices. This extension seeks to offer a more thorough understanding of network structures by capturing deeper connectivity patterns. The findings contribute to a better understanding of structure-property relationships in alkanes and can serve as a tool for predicting the properties of other alkanes based on their molecular structures.

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