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On Topological Indices of Certain Families of Nanostar Dendrimers
A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property (QSPR) research, theoretical properties of the che...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2016
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273492/ https://www.ncbi.nlm.nih.gov/pubmed/27347913 http://dx.doi.org/10.3390/molecules21070821 |
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author | Husin, Mohamad Nazri Hasni, Roslan Arif, Nabeel Ezzulddin Imran, Muhammad |
author_facet | Husin, Mohamad Nazri Hasni, Roslan Arif, Nabeel Ezzulddin Imran, Muhammad |
author_sort | Husin, Mohamad Nazri |
collection | PubMed |
description | A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property (QSPR) research, theoretical properties of the chemical compounds and their molecular topological indices such as the Randić connectivity index, atom-bond connectivity (ABC) index and geometric-arithmetic (GA) index are used to predict the bioactivity of different chemical compounds. A dendrimer is an artificially manufactured or synthesized molecule built up from the branched units called monomers. In this paper, the fourth version of ABC index and the fifth version of GA index of certain families of nanostar dendrimers are investigated. We derive the analytical closed formulas for these families of nanostar dendrimers. The obtained results can be of use in molecular data mining, particularly in researching the uniqueness of tested (hyper-branched) molecular graphs. |
format | Online Article Text |
id | pubmed-6273492 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-62734922018-12-28 On Topological Indices of Certain Families of Nanostar Dendrimers Husin, Mohamad Nazri Hasni, Roslan Arif, Nabeel Ezzulddin Imran, Muhammad Molecules Article A topological index of graph G is a numerical parameter related to G which characterizes its molecular topology and is usually graph invariant. In the field of quantitative structure-activity (QSAR)/quantitative structure-activity structure-property (QSPR) research, theoretical properties of the chemical compounds and their molecular topological indices such as the Randić connectivity index, atom-bond connectivity (ABC) index and geometric-arithmetic (GA) index are used to predict the bioactivity of different chemical compounds. A dendrimer is an artificially manufactured or synthesized molecule built up from the branched units called monomers. In this paper, the fourth version of ABC index and the fifth version of GA index of certain families of nanostar dendrimers are investigated. We derive the analytical closed formulas for these families of nanostar dendrimers. The obtained results can be of use in molecular data mining, particularly in researching the uniqueness of tested (hyper-branched) molecular graphs. MDPI 2016-06-24 /pmc/articles/PMC6273492/ /pubmed/27347913 http://dx.doi.org/10.3390/molecules21070821 Text en © 2016 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 Husin, Mohamad Nazri Hasni, Roslan Arif, Nabeel Ezzulddin Imran, Muhammad On Topological Indices of Certain Families of Nanostar Dendrimers |
title | On Topological Indices of Certain Families of Nanostar Dendrimers |
title_full | On Topological Indices of Certain Families of Nanostar Dendrimers |
title_fullStr | On Topological Indices of Certain Families of Nanostar Dendrimers |
title_full_unstemmed | On Topological Indices of Certain Families of Nanostar Dendrimers |
title_short | On Topological Indices of Certain Families of Nanostar Dendrimers |
title_sort | on topological indices of certain families of nanostar dendrimers |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6273492/ https://www.ncbi.nlm.nih.gov/pubmed/27347913 http://dx.doi.org/10.3390/molecules21070821 |
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