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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
Descripción
Sumario: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.