Abstract
A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property (QSPR) research, theoretical properties of the chemical compounds and their molecular topological indices such as the Randić connectivity index, atom-bond connectivity (ABC) index and geometric-arithmetic (GA) index are used to predict the bioactivity of different chemical compounds. A dendrimer is an artificially manufactured or synthesized molecule built up from the branched units called monomers. In this paper, the fourth version of ABC index and the fifth version of GA index of certain families of nanostar dendrimers are investigated. We derive the analytical closed formulas for these families of nanostar dendrimers. The obtained results can be of use in molecular data mining, particularly in researching the uniqueness of tested (hyper-branched) molecular graphs.
Highlights
Introduction and Preliminary ResultsThere is a lot of mathematics involved in electrical and electronic engineering
A molecular graph is a pictorial diagram of the structural formula of a chemical structure in terms of graph theory, where the vertices represent the atoms of the given chemical compound and the edges represent the chemical bonds between the atoms
With this paper we seek to contribute to a better knowledge of molecular topology among mathematicians
Summary
Introduction and Preliminary ResultsThere is a lot of mathematics involved in electrical and electronic engineering. A number of computers linked together form a network. Many chemical structures and chemical compounds are usually modeled by a molecular graph to analyze underlying theoretical properties. Cheminformatics is new subject which is a combination of chemistry, mathematics and information science. It studies Quantitative structure-activity (QSAR) and structure-property (QSPR) relationships that are used to predict the biological activities and properties of different chemical compounds. In the field of QSAR/QSPR research, theoretical properties of the chemical compounds and their molecular topological indices such as the Wiener index, Szaged index, Randić index, Zagreb index and ABC index are used to predict bioactivity of the chemical compounds
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