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Quantitative structure retention relationships of azole antifungal agents in reversed-phase high performance liquid chromatography
dc.creator | Golubović, Jelena | |
dc.creator | Protić, Ana | |
dc.creator | Zečević, Mira | |
dc.creator | Otašević, Biljana | |
dc.creator | Mikić, Marija | |
dc.creator | Živanović, Ljiljana | |
dc.date.accessioned | 2019-09-02T11:30:07Z | |
dc.date.available | 2019-09-02T11:30:07Z | |
dc.date.issued | 2012 | |
dc.identifier.issn | 0039-9140 | |
dc.identifier.uri | https://farfar.pharmacy.bg.ac.rs/handle/123456789/1748 | |
dc.description.abstract | Artificial neural network (ANN) is a learning system based on a computational technique which can simulate the neurological processing ability of the human brain. It was employed for building of the quantitative structure-retention relationships (QSRRs) model of antifungal agents-imidazoles or triazoles by structure. Computed molecular descriptors together with the percentage of acetonitrile in mobile phase (v/v) and buffer pH, being the most influential HPLC factors, were used as network inputs, giving the retention factor as model output. The multilayer perceptron network with a 9-5-1 topology was trained by using the back propagation algorithm. Good correlation between experimentally obtained data and ones predicted by using QSRR-ANN on previously unseen data sets indicates good predictive ability of the model. | en |
dc.publisher | Elsevier Science BV, Amsterdam | |
dc.relation | info:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172033/RS// | |
dc.rights | restrictedAccess | |
dc.source | Talanta | |
dc.subject | QSRR | en |
dc.subject | Artificial neural networks | en |
dc.subject | Antifungal agents | en |
dc.subject | Azoles | en |
dc.subject | HPLC | en |
dc.title | Quantitative structure retention relationships of azole antifungal agents in reversed-phase high performance liquid chromatography | en |
dc.type | article | |
dc.rights.license | ARR | |
dcterms.abstract | Голубовић, Јелена; Протић, Aна; Микић, Марија; Живановић, Љиљана; Зечевић, Мира; Оташевић, Биљана; | |
dc.citation.volume | 100 | |
dc.citation.spage | 329 | |
dc.citation.epage | 337 | |
dc.citation.other | 100: 329-337 | |
dc.citation.rank | M21 | |
dc.identifier.wos | 000313773300043 | |
dc.identifier.doi | 10.1016/j.talanta.2012.07.071 | |
dc.identifier.pmid | 23141345 | |
dc.identifier.scopus | 2-s2.0-84869079263 | |
dc.type.version | publishedVersion |