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Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices

Topological indices provide a mathematical language for capturing molecular structure, symmetry, and predicting properties. Dendrimers are microscopic bilaterally symmetrical molecules with a well-defined homogeneous nanoparticles structure, often consisting of a symmetric center, inner shell, and o...

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Detalles Bibliográficos
Autores principales: Zuo, Xuewu, Akhtar, Maryam, Aslam, Adnan, Tawfiq, Ferdous M., Kanwal, Salma
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Public Library of Science 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10688693/
https://www.ncbi.nlm.nih.gov/pubmed/38033000
http://dx.doi.org/10.1371/journal.pone.0294515
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author Zuo, Xuewu
Akhtar, Maryam
Aslam, Adnan
Tawfiq, Ferdous M.
Kanwal, Salma
author_facet Zuo, Xuewu
Akhtar, Maryam
Aslam, Adnan
Tawfiq, Ferdous M.
Kanwal, Salma
author_sort Zuo, Xuewu
collection PubMed
description Topological indices provide a mathematical language for capturing molecular structure, symmetry, and predicting properties. Dendrimers are microscopic bilaterally symmetrical molecules with a well-defined homogeneous nanoparticles structure, often consisting of a symmetric center, inner shell, and outer shell. In this work, first we compute some degree-based topological indices of Porphyrin (D(n)P(n)),Poly (Propyl) Ether Imine(PETIM), Zinc porphyrin (DPZ(n)), and Polyamidoamine (PAMAM) dendrimers. Then, we use multi-criteria decision making (MCDM) techniques to establish the weighted evaluation of dendrimer classes based on certain topological indices. For weighted analysis we correlate the properties of benzene derivatives with topological invariants. Finally, based on the multi-criteria decision making techniques namely TOPSIS, SAW and MOORA method, we have ranked the dendrimer structures based on their properties.
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spelling pubmed-106886932023-12-01 Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices Zuo, Xuewu Akhtar, Maryam Aslam, Adnan Tawfiq, Ferdous M. Kanwal, Salma PLoS One Research Article Topological indices provide a mathematical language for capturing molecular structure, symmetry, and predicting properties. Dendrimers are microscopic bilaterally symmetrical molecules with a well-defined homogeneous nanoparticles structure, often consisting of a symmetric center, inner shell, and outer shell. In this work, first we compute some degree-based topological indices of Porphyrin (D(n)P(n)),Poly (Propyl) Ether Imine(PETIM), Zinc porphyrin (DPZ(n)), and Polyamidoamine (PAMAM) dendrimers. Then, we use multi-criteria decision making (MCDM) techniques to establish the weighted evaluation of dendrimer classes based on certain topological indices. For weighted analysis we correlate the properties of benzene derivatives with topological invariants. Finally, based on the multi-criteria decision making techniques namely TOPSIS, SAW and MOORA method, we have ranked the dendrimer structures based on their properties. Public Library of Science 2023-11-30 /pmc/articles/PMC10688693/ /pubmed/38033000 http://dx.doi.org/10.1371/journal.pone.0294515 Text en © 2023 Zuo et al https://creativecommons.org/licenses/by/4.0/This is an open access article distributed under the terms of the Creative Commons Attribution License (https://creativecommons.org/licenses/by/4.0/) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original author and source are credited.
spellingShingle Research Article
Zuo, Xuewu
Akhtar, Maryam
Aslam, Adnan
Tawfiq, Ferdous M.
Kanwal, Salma
Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices
title Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices
title_full Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices
title_fullStr Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices
title_full_unstemmed Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices
title_short Multiple-Criteria Decision-Making (MCDM) techniques to study the behavior of dendrimers using topological indices
title_sort multiple-criteria decision-making (mcdm) techniques to study the behavior of dendrimers using topological indices
topic Research Article
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10688693/
https://www.ncbi.nlm.nih.gov/pubmed/38033000
http://dx.doi.org/10.1371/journal.pone.0294515
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