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Connecting SiO(4) in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices

A topological index is a numerical parameter that is derived mathematically from a graph structure. In chemical graph theory, these indices are used to quantify the chemical properties of chemical compounds. We compute the first and second temperature, hyper temperature indices, the sum connectivity...

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Detalles Bibliográficos
Autores principales: Zhang, Ying-Fang, Ghani, Muhammad Usman, Sultan, Faisal, Inc, Mustafa, Cancan, Murat
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9654817/
https://www.ncbi.nlm.nih.gov/pubmed/36364361
http://dx.doi.org/10.3390/molecules27217533
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author Zhang, Ying-Fang
Ghani, Muhammad Usman
Sultan, Faisal
Inc, Mustafa
Cancan, Murat
author_facet Zhang, Ying-Fang
Ghani, Muhammad Usman
Sultan, Faisal
Inc, Mustafa
Cancan, Murat
author_sort Zhang, Ying-Fang
collection PubMed
description A topological index is a numerical parameter that is derived mathematically from a graph structure. In chemical graph theory, these indices are used to quantify the chemical properties of chemical compounds. We compute the first and second temperature, hyper temperature indices, the sum connectivity temperature index, the product connectivity temperature index, the reciprocal product connectivity temperature index and the F temperature index of a molecular graph silicate network and silicate chain network. Furthermore, a QSPR study of the key topological indices is provided, and it is demonstrated that these topological indices are substantially linked with the physicochemical features of COVID-19 medicines. This theoretical method to find the temperature indices may help chemists and others in the pharmaceutical industry forecast the properties of silicate networks and silicate chain networks before trying.
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spelling pubmed-96548172022-11-15 Connecting SiO(4) in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices Zhang, Ying-Fang Ghani, Muhammad Usman Sultan, Faisal Inc, Mustafa Cancan, Murat Molecules Article A topological index is a numerical parameter that is derived mathematically from a graph structure. In chemical graph theory, these indices are used to quantify the chemical properties of chemical compounds. We compute the first and second temperature, hyper temperature indices, the sum connectivity temperature index, the product connectivity temperature index, the reciprocal product connectivity temperature index and the F temperature index of a molecular graph silicate network and silicate chain network. Furthermore, a QSPR study of the key topological indices is provided, and it is demonstrated that these topological indices are substantially linked with the physicochemical features of COVID-19 medicines. This theoretical method to find the temperature indices may help chemists and others in the pharmaceutical industry forecast the properties of silicate networks and silicate chain networks before trying. MDPI 2022-11-03 /pmc/articles/PMC9654817/ /pubmed/36364361 http://dx.doi.org/10.3390/molecules27217533 Text en © 2022 by the authors. https://creativecommons.org/licenses/by/4.0/Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (https://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Zhang, Ying-Fang
Ghani, Muhammad Usman
Sultan, Faisal
Inc, Mustafa
Cancan, Murat
Connecting SiO(4) in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices
title Connecting SiO(4) in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices
title_full Connecting SiO(4) in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices
title_fullStr Connecting SiO(4) in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices
title_full_unstemmed Connecting SiO(4) in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices
title_short Connecting SiO(4) in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices
title_sort connecting sio(4) in silicate and silicate chain networks to compute kulli temperature indices
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9654817/
https://www.ncbi.nlm.nih.gov/pubmed/36364361
http://dx.doi.org/10.3390/molecules27217533
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