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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Public Library of Science
2023
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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. |
format | Online Article Text |
id | pubmed-10688693 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2023 |
publisher | Public Library of Science |
record_format | MEDLINE/PubMed |
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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