QSPR Study of Coumarins Based on the Hyper Neighbourhood Stress Index
Résumé
In this paper, we introduce a novel molecular descriptor called the Hyper neighbourhood stress index $ HNS(G)$, which is based on the neighbourhood stresses of individual vertices. We explore the $ HNS(G)$ values for well-known graphs. Further, we perform QSPR (Quantitative Structure-Property Relationship) analysis to study the intercorrelation between the $ HNS(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 $ HNS(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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Références
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