Structure'activity relationships and quantitative structure'activity relationships modeling of some 3-(aryl)-N-(aryl)-1,2,4-Oxadiazol-5-Amine derivatives as anti-proliferative agents

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dc.authorid6602639857
dc.authorid56175631600
dc.authorid8421699000
dc.authorid15764678000
dc.contributor.authorBelaidi S.
dc.contributor.authorKerassa A.
dc.contributor.authorLanez T.
dc.contributor.authorCinar M.
dc.date.accessioned20.04.201910:49:12
dc.date.accessioned2019-04-20T21:44:05Z
dc.date.available20.04.201910:49:12
dc.date.available2019-04-20T21:44:05Z
dc.date.issued2015
dc.departmentBayburt Üniversitesien_US
dc.description.abstractQuantitative structure activity relationship studies were performed on a series of 3-(aryl)-N-(aryl)- 1,2,4-oxadiazol-5-amines as anti-proliferative agents, multiple linear regression analysis was performed to derive quantitative structure activity relationship models which were further evaluated internally for the prediction of activity. The developed models were cross-validated by the 'leave one out' technique as well as by the calculation of statistical parameters. The best QSAR model i.e., model-2 (R2 = 0 906, Fischer's test value F = 12066) has acceptable statistical quality and predictive potential as indicated by the value of cross validated squared correlation coefficient (q2 = 0 907). The present investigation indicates the importance of the quantum chemical descriptors, constitutional descriptors and hydrophobicity to study the anti-proliferative activity. © 2015 American Scientific Publishers All rights reserved.en_US
dc.identifier.doi10.1166/jctn.2015.3999
dc.identifier.endpage2133
dc.identifier.issn1546-1955
dc.identifier.issue9
dc.identifier.scopus2-s2.0-84946078657en_US
dc.identifier.scopusqualityQ4en_US
dc.identifier.startpage2127
dc.identifier.urihttps://dx.doi.org/10.1166/jctn.2015.3999
dc.identifier.urihttps://hdl.handle.net/20.500.12403/765
dc.identifier.volume12
dc.identifier.wosWOS:000365412900020en_US
dc.identifier.wosqualityQ2en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherAmerican Scientific Publishers
dc.relation.ispartofJournal of Computational and Theoretical Nanoscienceen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subject1,2,4-Oxadiazole-5-Amine
dc.subjectAnti-Proliferative Activity
dc.subjectMLR
dc.subjectQSAR Model
dc.subjectLinear regression
dc.subjectMolecular graphics
dc.subjectQuantum chemistry
dc.subjectRegression analysis
dc.subjectStructures (built objects)
dc.subject1,2,4-Oxadiazole-5-Amine
dc.subjectAnti-proliferative activities
dc.subjectMLR
dc.subjectMultiple linear regression analysis
dc.subjectQSAR model
dc.subjectQuantitative structure activity relationship
dc.subjectQuantitative structure activity relationship studies
dc.subjectSquared correlation coefficients
dc.subjectComputational chemistry
dc.subject1,2,4-Oxadiazole-5-Amine
dc.subjectAnti-Proliferative Activity
dc.subjectMLR
dc.subjectQSAR Model
dc.subjectLinear regression
dc.subjectMolecular graphics
dc.subjectQuantum chemistry
dc.subjectRegression analysis
dc.subjectStructures (built objects)
dc.subject1,2,4-Oxadiazole-5-Amine
dc.subjectAnti-proliferative activities
dc.subjectMLR
dc.subjectMultiple linear regression analysis
dc.subjectQSAR model
dc.subjectQuantitative structure activity relationship
dc.subjectQuantitative structure activity relationship studies
dc.subjectSquared correlation coefficients
dc.subjectComputational chemistry
dc.titleStructure'activity relationships and quantitative structure'activity relationships modeling of some 3-(aryl)-N-(aryl)-1,2,4-Oxadiazol-5-Amine derivatives as anti-proliferative agentsen_US
dc.typeArticleen_US

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