Abstract
Abstract Chemical graph theory is a branch of graph theory in which a chemical compound is presented with a simple graph called a molecular graph. There are atomic bonds in the chemistry of the chemical atomic graph and edges. The graph is connected when there is at least one connection between its vertices. The number that describes the topology of the graph is called the topological index. Cheminformatics is a 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 chemical compounds. We evaluated the second multiplicative Zagreb index, first and second universal Zagreb indices, first and second hyper Zagreb indices, sum and product connectivity indices for the planar octahedron network, triangular prism network, hex planar octahedron network, and give these indices closed analytical formulas.
Highlights
Topological indices, provided by graph theory, are a valuable tool
Cheminformatics is a new subject which is a combination of chemistry, mathematics and information science
We evaluated the second multiplicative Zagreb index, first and second universal Zagreb indices, first and second hyper Zagreb indices, sum and product connectivity indices for the planar octahedron network, triangular prism network, hex planar octahedron network, and give these indices closed analytical formulas
Summary
Topological indices, provided by graph theory, are a valuable tool. Cheminformatics is a modern academic area that combines the subjects of chemistry, mathematics, and information science. Atoms are considered as vertices and covalent bonds are as edges. Chem-informatics is a new area of research in which the subjects chemistry, mathematics, and information science are combined. First and second indices (Kulli, 2016) of a graph φ are defined as:. The first and second universal Zagreb index (Kulli, 2016) defined as:. The sum and product connectivity of Multiplicative indices (Kulli, 2016) defined as:
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