Square Root Neighborhood Stress Sum Index for Graphs

Abstract

Based on the neighborhood stresses of individual vertices, we present in this work a new molecular descriptor termed the square root neighborhood stress sum index $ SNS(G)$. We investigate the $SNS(G)$ values for known graphs. Moreover, we investigate the intercorrelation between the structural properties of coumarins and the $ SNS(G)$ of molecular graph structures by means of QSPR (Quantitative Structure-Property Relationship) analysis. Our results show a stronger link between coumarins' physicochemical characteristics and their $ SNS(G)$ of molecular graph structure. At last, we build cubic regression models to connect coumarin physicochemical characteristics with these molecular descriptors.