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dc.creatorĐaković-Sekulić, Tatjana
dc.creatorSmolinski, Adam
dc.creatorTrišović, Nemanja
dc.creatorUšćumlić, Gordana
dc.date.accessioned2021-03-10T11:54:16Z
dc.date.available2021-03-10T11:54:16Z
dc.date.issued2012
dc.identifier.issn0886-9383
dc.identifier.urihttp://TechnoRep.tmf.bg.ac.rs/handle/123456789/2190
dc.description.abstractMolecular properties relevant to pharmacokinetics of two sets of newly synthesized hydantoin derivatives based on two well-known drugs (Nirvanol and Phenytoin) were studied. Properties under consideration were either determined empirically by reversed-phase high-performance thin-layer chromatography or calculated by the use of established theoretical medicinal chemistry/drug design software. These properties represent selected structural features of analytes, which affect their processes of absorption, distribution, metabolism, excretion, and toxicity. Principal component analysis was used to visualize the differences between six mobile phase modifiers used as well as similarities between 24 analyzed compounds. To find appropriate quantitative relationships between RM, W for the tested compounds and molecular descriptors, stepwise regression, partial least squares (PLS), and robust PLS were used. The best results were obtained with robust PLS.en
dc.publisherWiley-Blackwell, Malden
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172013/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of Chemometrics
dc.subjectantiepileptic drugsen
dc.subjectquantitative structure-retention relationshipsen
dc.subjectstepwise regressionen
dc.subjectpartial least squaresen
dc.subjectrobust partial least squaresen
dc.titleMultivariate evaluation of the correlation between retention data and molecular descriptors of antiepileptic hydantoin analogsen
dc.typearticle
dc.rights.licenseARR
dc.citation.epage107
dc.citation.issue3-4
dc.citation.other26(3-4): 95-107
dc.citation.rankM21
dc.citation.spage95
dc.citation.volume26
dc.identifier.doi10.1002/cem.1421
dc.identifier.rcubconv_3785
dc.identifier.scopus2-s2.0-84858750729
dc.identifier.wos000301715400008
dc.type.versionpublishedVersion


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