Abstract
Irregularity indices are usually used for quantitative characterization of the topological structure of nonregular graphs. In numerous applications and problems in material engineering and chemistry, it is useful to be aware that how irregular a molecular structure is? In this paper, we are interested in formulating closed forms of irregularity measures of some of the crystallographic structures of Cu 2 O p , q , r and crystallographic structure of titanium difluoride of T i F 2 p , q , r . These theoretical conclusions provide practical guiding significance for pharmaceutical engineering and complex network and quantify the degree of folding of long organic molecules.
Highlights
In the medicines mathematical model, the structure of medication is taken as an undirected graph, where vertices and edges are taken as atoms and chemical bonds
In theoretical chemistry and biology, topological indices have been used for working out the information on molecules in the form of numerical coding. is relates to characterizing physicochemical, biological, toxicologic, pharmacologic, and other properties of chemical compounds. ousands of molecular structure descriptors have been suggested in order to characterize the physical and chemical properties of molecules [4,5,6]
Reti et al [7, 8] showed that the graph irregularity indices are efficient in quantitative structureproperty relationship (QSPR) studies of molecular graphs [9]
Summary
In the medicines mathematical model, the structure of medication is taken as an undirected graph, where vertices and edges are taken as atoms and chemical bonds. Ousands of molecular structure descriptors have been suggested in order to characterize the physical and chemical properties of molecules [4,5,6]. Zahid et al [12] computed the irregularity indices of a nanotube, Gao et al [13] recently computed irregularity measures of some dendrimer structures, in [14], they had discussed irregularity molecular descriptors of hourglass, jagged-rectangle, and triangular benzenoid systems, Iqbal et al [15] computed the irregularity indices of nanosheets, Zheng et al [16] discussed irregularity measures of subdivision vertex-edge, Abdo et al [17] computed irregularity of some molecular structures, Iqbal [12] studied irregularity measures of some nanotubes, and Gao et al [18] obtained M-polynomials of the crystallographic structure of molecules. Most of the well-known degree-based irregularity indices can be obtained from the following general setting: IR(G) f(d(u), d(v)),. Where f(d(u), d(v)) is an appropriately selected function
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