Abstract
In the fields of mathematical chemistry, a topological index, also known as a connectivity index, is a type of a molecular descriptor that is calculated based on the molecular graph of a chemical compound. Topological indices are an analytical framework of a graph which portray its topology and are mostly equal graphs. Topological indices (TIs) are numeral quantities that are used to foresee the natural correlation among the physicochemical properties of the chemical compounds in their fundamental network. TIs show an essential role in the theoretical abstract and environmental chemistry and pharmacology. In this paper, we compute many latest developed degree-based TIs. An analogy among the computed different versions of the TIs with the help of the numerical values and their graphs is also included .In this article, we compute the first Zagreb index, second Zagreb index, hyper Zagreb index, ABC Index, GA Index, and first Zagreb polynomial and second Zagreb polynomial of chemical graphs polythiophene, nylon 6,6, and the backbone structure of DNA.
Highlights
The graph is an abstract structure formed by a set of end points called nodes or vertices V(G) which are joined by a set of lines called edges E(G). e order and size of a graph are the total number of vertices and total number of edges of the graph G, respectively
Topological index is the representation of a chemical graph that must be a structural invariant which collects the information about the number of elements and their connectivity which is used to model the chemical graph
We will compute the main results of twodimensional structures of nylon 6,6, polythiophene, and the backbone structure of DNA. is section is divided into three parts
Summary
The graph is an abstract structure formed by a set of end points called nodes or vertices V(G) which are joined by a set of lines called edges E(G). e order and size of a graph are the total number of vertices and total number of edges of the graph G, respectively. Cheminformatics is a new subject which is recently introduced that is the combination of mathematics, chemistry, and information technology which deals with structural properties of chemical graphs and their relationships which helps to predict bioactivity of the chemical compounds. In the QSAR/QSPR study, physiochemical properties and topological indices such as the 1st multiple Zagreb index, 2nd multiple Zagreb index, hyper Zagreb index, and Zagreb polynomials are used to predict the bioactivity of chemical compounds. We will find the 1st and 2nd Zagreb index, first multiple Zagreb index, second multiple Zagreb index, hyper Zagreb index, and Zagreb polynomials of chemical graphs nylon 6,6, polythiophene, and the backbone structure of DNA. We compute all the abovementioned topological indices and polynomials of chemical graphs nylon 6,6, polythiophene, and the backbone structure of DNA
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