Computing Topological Descriptors and Polynomials of Certain 2D Chemical Structures
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...
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| Main Authors: | , , , , , , |
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| Format: | Article |
| Language: | English |
| Published: |
Wiley
2021-01-01
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| Series: | Journal of Chemistry |
| Online Access: | http://dx.doi.org/10.1155/2021/8718807 |
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| Summary: | 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. |
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| ISSN: | 2090-9071 |