On Neighborhood Eccentricity-Based Topological Indices with QSPR Analysis of PAHs Drugs

ABSTRACT

This article examines newly introduced eccentricity topological descriptors that are used to analyze the structures of polycyclic aromatic hydrocarbons. The purpose is to identify structural components that have a significant impact on physicochemical properties. Regression analysis applies to find potential correlation between different drugs characteristics like bioavailability, toxicity and efficacy. The correlation between various polycyclic aromatic hydrocarbons physicochemical properties and the eccentric topological indices is then expressed through the construction of a significant linear regression model. The results show that topological indices and linear regression are useful in predicting significant characteristics of polycyclic aromatic hydrocarbons.

KEYWORDS:

• Eccentricity based topological indices
• polycyclic aromatic hydrocarbons
• physicochemical properties

Authors’ contributions

All authors have made equal contributions to this paper at every stage, including conceptualization and the final drafting process.

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No potential conflict of interest was reported by the author(s).

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The manuscript has been approved by all authors and consent for publication has been granted.

Data availability statement

All data generated or analyzed during this study are included in this published article.