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dc.creatorGatarić, Biljana
dc.creatorParojčić, Jelena
dc.date.accessioned2019-09-02T12:09:48Z
dc.date.available2019-09-02T12:09:48Z
dc.date.issued2019
dc.identifier.issn0142-2782
dc.identifier.urihttp://farfar.pharmacy.bg.ac.rs/handle/123456789/3294
dc.description.abstractSolubility and permeability are recognized as key parameters governing drug intestinal absorption and represent the basis for biopharmaceutics drug classification. The Biopharmaceutics Classification System (BCS) is widely accepted and adopted by regulatory agencies. However, currently established low/high permeability and solubility boundaries are the subject of the ongoing scientific discussion. The aim of the present study was to apply data mining analysis on the selected drugs data set in order to develop a human permeability predictive model based on selected molecular descriptors, and to perform data clustering and classification to identify drug subclasses with respect to dose/solubility ratio (D/S) and effective permeability (P-eff). The P-eff values predicted for 30 model drugs for which experimental human permeability data are not available were in good agreement with the reported fraction of drug absorbed. The results of clustering and classification analysis indicate the predominant influence of P-eff over D/S. Two P-eff cut-off values (1 x 10(-4) and 2.7 x 10(-4) cm/s) have been identified indicating the existence of an intermediate group of drugs with moderate permeability. Advanced computational analysis employed in the present study enabled the recognition of complex relationships and patterns within physicochemical and biopharmaceutical properties associated with drug bioperformance.en
dc.publisherWiley, Hoboken
dc.relationinfo:eu-repo/grantAgreement/MESTD/Technological Development (TD or TR)/34007/RS//
dc.rightsrestrictedAccess
dc.sourceBiopharmaceutics & Drug Disposition
dc.subjectbiopharmaceutics classification system (BCS)en
dc.subjectdata miningen
dc.subjecthuman intestinal permeabilityen
dc.subjectsolubilityen
dc.titleApplication of data mining approach to identify drug subclasses based on solubility and permeabilityen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractГатарић, Биљана; Паројчић, Јелена;
dc.citation.volume40
dc.citation.issue2
dc.citation.spage51
dc.citation.epage61
dc.citation.other40(2): 51-61
dc.citation.rankM23
dc.identifier.wos000459936200001
dc.identifier.doi10.1002/bdd.2170
dc.identifier.pmid30635908
dc.identifier.scopus2-s2.0-85061434877
dc.identifier.rcubconv_4326
dc.type.versionpublishedVersion


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