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On neighborhood Zagreb index of product graphs
The properties and activities of chemicals are strongly related to their molecular structures. Topological indices defined on these molecular structures are capable to predict those properties and activities. In this article, a new topological index named as neighborhood Zagreb index (M(N)) is prese...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Elsevier B.V.
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7474663/ https://www.ncbi.nlm.nih.gov/pubmed/32921807 http://dx.doi.org/10.1016/j.molstruc.2020.129210 |
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author | Mondal, Sourav De, Nilanjan Pal, Anita |
author_facet | Mondal, Sourav De, Nilanjan Pal, Anita |
author_sort | Mondal, Sourav |
collection | PubMed |
description | The properties and activities of chemicals are strongly related to their molecular structures. Topological indices defined on these molecular structures are capable to predict those properties and activities. In this article, a new topological index named as neighborhood Zagreb index (M(N)) is presented. Here the chemical importance of the M(N) index is investigated and it is shown that the newly introduced index is useful in predicting physico-chemical properties with high accuracy compared to some well-established and often used indices. The isomer-discrimination ability of M(N) is also examined. To demonstrate how the computational formula of the novel index for chemical compounds is simple and convenient, the chemical structures of favipiravir and hydroxychloroquine are used. In addition, some explicit results for this index of different product graphs such as Cartesian, tensor and wreath product are derived. Some of these results are applied to obtain the M(N) index of some special structures. |
format | Online Article Text |
id | pubmed-7474663 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | Elsevier B.V. |
record_format | MEDLINE/PubMed |
spelling | pubmed-74746632020-09-08 On neighborhood Zagreb index of product graphs Mondal, Sourav De, Nilanjan Pal, Anita J Mol Struct Article The properties and activities of chemicals are strongly related to their molecular structures. Topological indices defined on these molecular structures are capable to predict those properties and activities. In this article, a new topological index named as neighborhood Zagreb index (M(N)) is presented. Here the chemical importance of the M(N) index is investigated and it is shown that the newly introduced index is useful in predicting physico-chemical properties with high accuracy compared to some well-established and often used indices. The isomer-discrimination ability of M(N) is also examined. To demonstrate how the computational formula of the novel index for chemical compounds is simple and convenient, the chemical structures of favipiravir and hydroxychloroquine are used. In addition, some explicit results for this index of different product graphs such as Cartesian, tensor and wreath product are derived. Some of these results are applied to obtain the M(N) index of some special structures. Elsevier B.V. 2021-01-05 2020-09-06 /pmc/articles/PMC7474663/ /pubmed/32921807 http://dx.doi.org/10.1016/j.molstruc.2020.129210 Text en © 2020 Elsevier B.V. All rights reserved. Since January 2020 Elsevier has created a COVID-19 resource centre with free information in English and Mandarin on the novel coronavirus COVID-19. The COVID-19 resource centre is hosted on Elsevier Connect, the company's public news and information website. Elsevier hereby grants permission to make all its COVID-19-related research that is available on the COVID-19 resource centre - including this research content - immediately available in PubMed Central and other publicly funded repositories, such as the WHO COVID database with rights for unrestricted research re-use and analyses in any form or by any means with acknowledgement of the original source. These permissions are granted for free by Elsevier for as long as the COVID-19 resource centre remains active. |
spellingShingle | Article Mondal, Sourav De, Nilanjan Pal, Anita On neighborhood Zagreb index of product graphs |
title | On neighborhood Zagreb index of product graphs |
title_full | On neighborhood Zagreb index of product graphs |
title_fullStr | On neighborhood Zagreb index of product graphs |
title_full_unstemmed | On neighborhood Zagreb index of product graphs |
title_short | On neighborhood Zagreb index of product graphs |
title_sort | on neighborhood zagreb index of product graphs |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7474663/ https://www.ncbi.nlm.nih.gov/pubmed/32921807 http://dx.doi.org/10.1016/j.molstruc.2020.129210 |
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