M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules

Topological indices are numerical parameters used to study the physical and chemical properties of compounds. In quantitative structure–activity relationship QSARs, topological indices correlate the biological activity of compounds with their physical properties like boiling point, stability, meltin...

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Autores principales: Gao, Wei, Younas, Muhammad, Farooq, Adeel, Mahboob, Abid, Nazeer, Waqas
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2018
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316663/
https://www.ncbi.nlm.nih.gov/pubmed/30282953
http://dx.doi.org/10.3390/biom8040107
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author Gao, Wei
Younas, Muhammad
Farooq, Adeel
Mahboob, Abid
Nazeer, Waqas
author_facet Gao, Wei
Younas, Muhammad
Farooq, Adeel
Mahboob, Abid
Nazeer, Waqas
author_sort Gao, Wei
collection PubMed
description Topological indices are numerical parameters used to study the physical and chemical properties of compounds. In quantitative structure–activity relationship QSARs, topological indices correlate the biological activity of compounds with their physical properties like boiling point, stability, melting point, distortion, and strain energy etc. In this paper, we determined the M-polynomials of the crystallographic structure of the molecules Cu(2)O and T(i)F(2) [p,q,r]. Then we derived closed formulas for some well-known topological indices using calculus. In the end, we used Maple 15 to plot surfaces associated with the topological indices of Cu(2)O and T(i)F(2) [p,q,r].
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spelling pubmed-63166632019-01-10 M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules Gao, Wei Younas, Muhammad Farooq, Adeel Mahboob, Abid Nazeer, Waqas Biomolecules Article Topological indices are numerical parameters used to study the physical and chemical properties of compounds. In quantitative structure–activity relationship QSARs, topological indices correlate the biological activity of compounds with their physical properties like boiling point, stability, melting point, distortion, and strain energy etc. In this paper, we determined the M-polynomials of the crystallographic structure of the molecules Cu(2)O and T(i)F(2) [p,q,r]. Then we derived closed formulas for some well-known topological indices using calculus. In the end, we used Maple 15 to plot surfaces associated with the topological indices of Cu(2)O and T(i)F(2) [p,q,r]. MDPI 2018-10-03 /pmc/articles/PMC6316663/ /pubmed/30282953 http://dx.doi.org/10.3390/biom8040107 Text en © 2018 by the authors. 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 (http://creativecommons.org/licenses/by/4.0/).
spellingShingle Article
Gao, Wei
Younas, Muhammad
Farooq, Adeel
Mahboob, Abid
Nazeer, Waqas
M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules
title M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules
title_full M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules
title_fullStr M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules
title_full_unstemmed M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules
title_short M-Polynomials and Degree-Based Topological Indices of the Crystallographic Structure of Molecules
title_sort m-polynomials and degree-based topological indices of the crystallographic structure of molecules
topic Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6316663/
https://www.ncbi.nlm.nih.gov/pubmed/30282953
http://dx.doi.org/10.3390/biom8040107
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