Degree Based Weighted Entropy Indices of Polycyclic Aromatic Hydrocarbons

The topological index is a molecular predictor that is commonly supported in the research of QSAR of pharmaceuticals to numerically quantify their molecular features. Entropic network measures are a class of topological descriptors with applications that range from quantitative characterization of a...

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Bibliographic Details
Published inPolycyclic aromatic compounds Vol. 43; no. 2; pp. 1482 - 1494
Main Authors Amjadi, Jafar, Shooshtari, Hajar, Jahanbani, Akbar, Hasni, Roslan
Format Journal Article
LanguageEnglish
Published Philadelphia Taylor & Francis 07.02.2023
Taylor & Francis Ltd
Subjects
Chemical properties
Degree-based entropy
edge weight-based entropy
Entropy
Mathematical analysis
Molecular structure
Polycyclic aromatic hydrocarbons
Structural analysis
Structure-activity relationships
Topology
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Summary:The topological index is a molecular predictor that is commonly supported in the research of QSAR of pharmaceuticals to numerically quantify their molecular features. Entropic network measures are a class of topological descriptors with applications that range from quantitative characterization of a molecular structure to the study of certain chemical properties of molecular graphs. This paper focuses on computing analytical expressions of degree-based entropy measures for polycyclic aromatic hydrocarbons. The numerical values of the entropy measures computed in this paper also provide an insight into the relationship between the entropy measures and the molecular structure.
ISSN:1040-6638
1563-5333
DOI:10.1080/10406638.2022.2028868