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

Authors :
Zuo, Xuewu
Akhtar, Maryam
Aslam, Adnan
Tawfiq, Ferdous M.
Kanwal, Salma
Source :
PLoS ONE. 11/30/2023, Vol. 18 Issue 11, p1-19. 19p.
Publication Year :
2023

Abstract

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 (DnPn),Poly (Propyl) Ether Imine(PETIM), Zinc porphyrin (DPZn), 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. [ABSTRACT FROM AUTHOR]

Details

Language :
English
ISSN :
19326203
Volume :
18
Issue :
11
Database :
Academic Search Index
Journal :
PLoS ONE
Publication Type :
Academic Journal
Accession number :
173949772
Full Text :
https://doi.org/10.1371/journal.pone.0294515