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VIGNESH R 18PHD1031
VIGNESH R 18PHD1031

Public Documents 1
Quantitative Structure - Property Relationship (QSPR) Analysis of Some Closed Neighbo...
VIGNESH R 18PHD1031
Kalyani Desikan

Vignesh Ravi

and 1 more

January 31, 2024
Topological descriptors defined on chemical structures are effective in understanding the properties and activities of chemical molecules. Open neighborhood degree sum based topological indices were studied recently by Vignesh and Kalyani Desikan [29]. Vignesh et al. [30] proposed the reciprocal versions of the indices mentioned in [29]. In this paper, the Quantitative Structure - Property Relationship (QSPR) analysis of the proposed closed neighborhood versions of the indices dened in [29] and [30] are analyzed. QSPR analysis is a statistical procedure for examining molecular activity. QSPR analysis of the proposed indices is performed for octane isomers to uncover their predicting power. Curvilinear regression models are obtained and analysed for the physico-chemical properties of the octane isomers in terms of the proposed indices. We fit linear, quadratic and cubic models for estimating the physico-chemical properties of octane isomers based on the proposed indices. Among our proposed models, the cubic regression model gave the best estimates for the physico-chemical properties of octane isomers. Also, the sensitivity analysis of our proposed indices is performed. Further, we compute the dened closed neighborhood topological indices forHyaluronic Acid - Curcumin Conjugates (HA)n, n>=1.

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