An Algebraic Approach to Calculate Some Topological Coindices and QSPR Analysis of Some Novel Drugs Used in the Treatment of Breast Cancer

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dc.authoridEryasar, Elif/0000-0002-9852-6662
dc.contributor.authorSozen, Esra Ozturk
dc.contributor.authorEryasar, Elif
dc.date.accessioned2025-03-23T19:35:08Z
dc.date.available2025-03-23T19:35:08Z
dc.date.issued2024
dc.departmentSinop Üniversitesi
dc.description.abstractBreast cancer is one of the most leading deadly diseases in the world whose ranks first among all oncological diseases in women and it is the second spearheading reason of cancer deadness after lung cancer in the United States. Researchers from all over the world are working for finding better ways for preventing, identifying, and treating breast cancer. Topological indices are the functions generating a numerical value from the molecular graph of compounds and they are also a useful tool to estimate the pyhsicochemical and biological properties of molecules in the quantitative structure-property (activity) relationship (QSPR/QSAR) studies. In this paper, some drugs are studied which are used for the treatment of breast cancer. CoM-polynomials based on degree are occurred for chemical graphs of these drugs and the values of some variable topological coindices are calculated via these polynomials. The results obtained by regression analysis show that the correlations of the chosen coindices with the physicochemical properties of the determined drugs are good even strong for some of them. The QSPR models are constructed using the curvilinear regression method with topological coindices.
dc.identifier.doi10.1080/10406638.2023.2214286
dc.identifier.endpage2243
dc.identifier.issn1040-6638
dc.identifier.issn1563-5333
dc.identifier.issue4
dc.identifier.scopus2-s2.0-85160244276
dc.identifier.scopusqualityQ2
dc.identifier.startpage2226
dc.identifier.urihttps://doi.org/10.1080/10406638.2023.2214286
dc.identifier.urihttps://hdl.handle.net/11486/5787
dc.identifier.volume44
dc.identifier.wosWOS:000994694500001
dc.identifier.wosqualityQ2
dc.indekslendigikaynakWeb of Science
dc.indekslendigikaynakScopus
dc.language.isoen
dc.publisherTaylor & Francis Ltd
dc.relation.ispartofPolycyclic Aromatic Compounds
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanı
dc.rightsinfo:eu-repo/semantics/closedAccess
dc.snmzKA_WOS_20250323
dc.subjectMolecular graph structure
dc.subjecttopological coindices
dc.subjectCoM -polynomial
dc.subjectcurvilinear regression analyze
dc.titleAn Algebraic Approach to Calculate Some Topological Coindices and QSPR Analysis of Some Novel Drugs Used in the Treatment of Breast Cancer
dc.typeArticle

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