Degree Based Weighted Entropy Indices of Polycyclic Aromatic Hydrocarbons
Jafar Amjadi, Hajar Shooshtari, Akbar Jahanbani, Roslan Hasni · Polycyclic aromatic compounds · 2022
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.