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dc.contributor.authorAfantitis, Antreasen
dc.contributor.authorMelagraki, G.en
dc.contributor.authorSarimveis, H.en
dc.contributor.authorKoutentis, Panayiotis Andreasen
dc.contributor.authorMarkopoulos, J.en
dc.contributor.authorIgglessi-Markopoulou, O.en
dc.creatorAfantitis, Antreasen
dc.creatorMelagraki, G.en
dc.creatorSarimveis, H.en
dc.creatorKoutentis, Panayiotis Andreasen
dc.creatorMarkopoulos, J.en
dc.creatorIgglessi-Markopoulou, O.en
dc.date.accessioned2019-11-21T06:16:15Z
dc.date.available2019-11-21T06:16:15Z
dc.date.issued2006
dc.identifier.issn1611-020X
dc.identifier.urihttp://gnosis.library.ucy.ac.cy/handle/7/55232
dc.description.abstractA linear quantitative structure activity relationship model is obtained using Multiple Linear Regression (MLR) analysis as applied to a series of 49 dipeptidyl aspartyl fluoromethylketone derivatives with inhibitory activity of the caspase enzyme. For the selection of the best descriptors, the elimination selection stepwise regression method is utilized. The accuracy of the proposed MLR model is illustrated using the following evaluation techniques: cross validation, validation through an external test set, and Y-randomization. Furthermore, the domain of applicability which indicates the area of reliable predictions is defined. © 2006 Wiley-VCH Verlag GmbH & Co. KGaA.en
dc.sourceQSAR and Combinatorial Scienceen
dc.source.urihttps://www.scopus.com/inward/record.uri?eid=2-s2.0-33750352001&doi=10.1002%2fqsar.200530208&partnerID=40&md5=f589b58652dd913021eb9bc286af309e
dc.subjectarticleen
dc.subjectpredictionen
dc.subjectpriority journalen
dc.subjectunclassified drugen
dc.subjectdrug screeningen
dc.subjectApoptosisen
dc.subjectcorrelation coefficienten
dc.subjectenzyme inhibitionen
dc.subjectphysical chemistryen
dc.subjectcaspase 3en
dc.subjectIC 50en
dc.subjectQSARen
dc.subjectquantitative structure activity relationen
dc.subjectdrug structureen
dc.subjectcaspase 3 inhibitoren
dc.subjectCaspase-3en
dc.subjectdipeptidylaspartylfluoromethylketone derivativeen
dc.subjectketone derivativeen
dc.subjectMolecular Modelingen
dc.titleA novel QSAR model for evaluating and predicting the inhibition activity of dipeptidyl aspartyl fluoromethylketonesen
dc.typeinfo:eu-repo/semantics/article
dc.identifier.doi10.1002/qsar.200530208
dc.description.volume25
dc.description.issue10
dc.description.startingpage928
dc.description.endingpage935
dc.author.faculty002 Σχολή Θετικών και Εφαρμοσμένων Επιστημών / Faculty of Pure and Applied Sciences
dc.author.departmentΤμήμα Χημείας / Department of Chemistry
dc.type.uhtypeArticleen
dc.description.notes<p>Cited By :25</p>en
dc.source.abbreviationQSAR Comb.Sci.en
dc.contributor.orcidKoutentis, Panayiotis Andreas [0000-0002-4652-7567]
dc.contributor.orcidAfantitis, Antreas [0000-0002-0977-8180]
dc.contributor.orcidIgglessi-Markopoulou, O. [0000-0002-7683-8526]


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