Neighbourhood stress sum index for graphs

Rahul Munavalli; M. Niharika Hegde; Prashant V. Patil; M. Kirankumar; M. Pavithra; M. Niharika Hegde

doi:10.5269/bspm.75995

Rahul Munavalli Vidyavardhaka College of Engineering, Mysuru
M. Niharika Hegde Malnad College of Engineering
Prashant V. Patil Jain College of Engineering
M. Kirankumar Vidyavardhaka College of Engineering
M. Pavithra Karnataka State Open University, Mysuru
M. Niharika Hegde Malnad College of Engineering

Abstract

In this paper, we introduce a novel molecular descriptor called the neighborhood stress sum index $ NSS(G)$, which is based on the neighborhood stresses of individual vertices. We explore the $ NSS(G)$ values for well-known graphs. Further, we perform QSPR (Quantitative Structure-Property Relationship) analysis to study the intercorrelation between the $ NSS(G)$ of molecular graph structures and the structural properties of coumarins. Our findings reveal a better correlation between the physicochemical properties of coumarins and the $ NSS(G)$ of their molecular graph structures. Finally, we establish quadratic regression models to relate these molecular descriptors with the physicochemical properties of coumarins.

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Author Biographies

Rahul Munavalli, Vidyavardhaka College of Engineering, Mysuru

Assistant Professor, Department of Mathematics

M. Niharika Hegde, Malnad College of Engineering

Assistant Professor, Department of Mathematics

Prashant V. Patil, Jain College of Engineering

Associate Professor, Department of Mathematics

M. Pavithra, Karnataka State Open University, Mysuru

Associate Professor, Department of Studies in Mathematics

M. Niharika Hegde, Malnad College of Engineering

Assistant Professor, Department of Mathematics

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