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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2022
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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. |
format | Online Article Text |
id | pubmed-9654817 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2022 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
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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