On degree-based operators and topological descriptors of molecular graphs and their applications to QSPR analysis of carbon derivatives

基于度的算子和分子图的拓扑描述符及其在碳衍生物QSPR分析中的应用

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Abstract

This work initiates a concept of reduced reverse degree based RRD M -Polynomial for a graph, and differential and integral operators by using this RRD M -Polynomial. In this study twelve reduced reverse degree-based topological descriptors are formulated using the RRD M -Polynomial. The topological descriptors, denoted as TD 's, are numerical invariants that offer significant insights into the molecular topology of a molecular graph. These descriptors are essential for conducting QSPR investigations and accurately estimating physicochemical attributes. The structural and algebraic characteristics of the graphene and graphdiyne are studied to apply this methodology. The study involves the analysis and estimation of Reduced reverse degree-based topological descriptors and physicochemical features of graphene derivatives using best-fit quadratic regression models. This work opens up new directions for scientists and researchers to pursue, taking them into new fields of study.

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