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Distance based topological descriptors of zinc porphyrin dendrimer

Dendrimers are highly branched macromolecules with unique structure and properties. The applications of dendrimers are vast in the field of nano-science and chemistry. The topological indices, a numeric invariant characterises the properties of chemical compounds in the field of QSPR/QSAR. The study...

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Main Authors: Xavier, D. Antony, Varghese, Eddith Sarah, Baby, Annmaria, Mathew, Deepa, Kaabar, Mohammed K. A.
Format: Article
Published: Elsevier 2022
Subjects:
QD Chemistry
Online Access:http://eprints.um.edu.my/41613/
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spelling my.um.eprints.416132023-11-08T03:02:59Z http://eprints.um.edu.my/41613/ Distance based topological descriptors of zinc porphyrin dendrimer Xavier, D. Antony Varghese, Eddith Sarah Baby, Annmaria Mathew, Deepa Kaabar, Mohammed K. A. QD Chemistry Dendrimers are highly branched macromolecules with unique structure and properties. The applications of dendrimers are vast in the field of nano-science and chemistry. The topological indices, a numeric invariant characterises the properties of chemical compounds in the field of QSPR/QSAR. The study of the properties of dendrimers and their association to the chemical structure using molecular descriptors is helpful in drug design. We determined some numerical expressions for the distance-based topological indices namely, Wiener index, different types of Szeged and Mostar indices and Padmakar Ivan index, of Zinc Porphyrin dendrimer (DPZn) which helps to analyse the characteristic structure of DPZn. We have discussed and compared their numerical values graphically. (c) 2022 Elsevier B.V. All rights reserved. Elsevier 2022-11-15 Article PeerReviewed Xavier, D. Antony and Varghese, Eddith Sarah and Baby, Annmaria and Mathew, Deepa and Kaabar, Mohammed K. A. (2022) Distance based topological descriptors of zinc porphyrin dendrimer. Journal of Molecular Structure, 1268. ISSN 0022-2860, DOI https://doi.org/10.1016/j.molstruc.2022.133614 <https://doi.org/10.1016/j.molstruc.2022.133614>. 10.1016/j.molstruc.2022.133614
institution Universiti Malaya
building UM Library
collection Institutional Repository
continent Asia
country Malaysia
content_provider Universiti Malaya
content_source UM Research Repository
url_provider http://eprints.um.edu.my/
topic QD Chemistry
spellingShingle QD Chemistry
Xavier, D. Antony
Varghese, Eddith Sarah
Baby, Annmaria
Mathew, Deepa
Kaabar, Mohammed K. A.
Distance based topological descriptors of zinc porphyrin dendrimer
description Dendrimers are highly branched macromolecules with unique structure and properties. The applications of dendrimers are vast in the field of nano-science and chemistry. The topological indices, a numeric invariant characterises the properties of chemical compounds in the field of QSPR/QSAR. The study of the properties of dendrimers and their association to the chemical structure using molecular descriptors is helpful in drug design. We determined some numerical expressions for the distance-based topological indices namely, Wiener index, different types of Szeged and Mostar indices and Padmakar Ivan index, of Zinc Porphyrin dendrimer (DPZn) which helps to analyse the characteristic structure of DPZn. We have discussed and compared their numerical values graphically. (c) 2022 Elsevier B.V. All rights reserved.
format Article
author Xavier, D. Antony
Varghese, Eddith Sarah
Baby, Annmaria
Mathew, Deepa
Kaabar, Mohammed K. A.
author_facet Xavier, D. Antony
Varghese, Eddith Sarah
Baby, Annmaria
Mathew, Deepa
Kaabar, Mohammed K. A.
author_sort Xavier, D. Antony
title Distance based topological descriptors of zinc porphyrin dendrimer
title_short Distance based topological descriptors of zinc porphyrin dendrimer
title_full Distance based topological descriptors of zinc porphyrin dendrimer
title_fullStr Distance based topological descriptors of zinc porphyrin dendrimer
title_full_unstemmed Distance based topological descriptors of zinc porphyrin dendrimer
title_sort distance based topological descriptors of zinc porphyrin dendrimer
publisher Elsevier
publishDate 2022
url http://eprints.um.edu.my/41613/
_version_ 1783876728564744192
score 13.160551

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