QSPR Analysis of the Generalized Irregular Neighborhood Valency Descriptor of Some Basic Polycyclic Aromatic Hydrocarbons

Topological indices are molecular descriptors associated with the physical, chemical, and biological properties of the molecules. The main goal of this paper is to explore some mathematical properties of generalized irregular neighborhood related descriptor. Also, the particular cases of these descr...

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Bibliographic Details
Published inPolycyclic aromatic compounds Vol. 44; no. 5; pp. 3272 - 3288
Main Authors Chaluvaraju, B., T., Vidya
Format Journal Article
LanguageEnglish
Published Philadelphia Taylor & Francis 27.05.2024
Taylor & Francis Ltd
Subjects
Biological properties
Chemical graph
irregular neighborhood index
Molecular structure
Polycyclic aromatic hydrocarbons
QSPR analysis
Statistical analysis
Valency
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Summary:Topological indices are molecular descriptors associated with the physical, chemical, and biological properties of the molecules. The main goal of this paper is to explore some mathematical properties of generalized irregular neighborhood related descriptor. Also, the particular cases of these descriptors are calculated for the molecular structure of some basic polycyclic aromatic hydrocarbons (PAHs) along with statistical analysis.
ISSN:1040-6638
1563-5333
DOI:10.1080/10406638.2023.2232578