QSPR analysis of some novel neighborhood degree based topological descriptors

TL;DR

This paper introduces new neighborhood degree-based topological descriptors, develops an algorithm for their computation, and demonstrates their effectiveness in predicting chemical properties through QSPR analysis.

Contribution

The paper proposes novel neighborhood degree-based topological indices and provides an algorithm for their calculation, enhancing QSPR modeling capabilities.

Findings

New indices show strong correlation with physical properties.

Mathematical properties of the indices are analyzed.

Algorithm simplifies computation of the indices.

Abstract

Topological index is a numerical value associated with chemical constitution for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. In this work, some new indices based on neighbourhood degree sum of nodes are proposed. To make the computation of the novel indices convenient, an algorithm is designed. QSPR analysis of these newly introduced indices are studied here which reveals their predicting power. Some mathematical properties of these indices are also discussed here.