QSPR Study of Coumarins Based on the Hyper Neighbourhood Stress Index
Resumo
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.
Downloads
Referências
\bibitem{raj2} Rajendra, R., Siva Kota Reddy, P. and Harshavardhana, C. N.: Tosha Index for Graphs, \emph{Proc. Jangjeon Math. Soc.}, {\bf 24}(1) (2021), 141--147.
\bibitem{rest} Rajendra, R., Siva Kota Reddy, P. and Harshavardhana, C. N.: Rest of a vertex in a graph, \emph{Adv. Math., Sci. J.}, {\bf 10}(2) (2021), 697-704.
\bibitem{rich} Rajendra, R., Siva Kota Reddy, P., Mahesh, K.B. and Harshavardhana, C. N.: Richness of a Vertex in a Graph, \emph{South East Asian J. Math. Math. Sci.}, {\bf 18}(2) (2022), 149--160.
\bibitem{raj3} Rajendra, R., Bhargava, K. Shubhalakshmi, D. and Siva Kota Reddy, P.: Peripheral Harary Index of Graphs, \emph{Palest. J. Math.}, {\bf 11}(3) (2022), 323--336.
\bibitem{raj4} Rajendra, R., Siva Kota Reddy, P. and Prabhavathi, M.: Computation of Wiener Index, Reciprocal Wiener index and Peripheral Wiener Index Using Adjacency Matrix, \emph{South East Asian J. Math. Math. Sci.}, {\bf 18}(3) (2022), 275-282.
\bibitem{raj5} Rajendra, R., Siva Kota Reddy, P., Harshavardhana, C. N., Aishwarya, S. V. and Chandrashekara, B. M.: Chelo Index for graphs, \emph{South East Asian J. Math. Math. Sci.}, {\bf19}(1) (2023), 175-188.
\bibitem{raj6} Rajendra, R., Siva Kota Reddy, P., Harshavardhana, C. N., and Alloush, Khaled A. A.: Squares Stress Sum Index for Graphs, \emph{Proc. Jangjeon Math. Soc.}, {\bf 26}(4) (2023), 483--493.
\bibitem{raj7} Rajendra, R., Siva Kota Reddy, P. and Harshavardhana, C. N.: Stress-Difference Index for Graphs, \emph{Bol. Soc. Parana. Mat. (3)}, {\bf 42} (2024), 1--10.
Copyright (c) 2026 Boletim da Sociedade Paranaense de Matemática
This work is licensed under a Creative Commons Attribution 4.0 International License.
When the manuscript is accepted for publication, the authors agree automatically to transfer the copyright to the (SPM).
The journal utilize the Creative Common Attribution (CC-BY 4.0).
