Use este identificador para citar ou linkar para este item: http://repositorio.ufla.br/jspui/handle/1/41808
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dc.creatorGoodarzi, Mohammad-
dc.creatorFreitas, Matheus P.-
dc.date.accessioned2020-07-12T22:40:29Z-
dc.date.available2020-07-12T22:40:29Z-
dc.date.issued2010-11-
dc.identifier.citationGOODARZI, M.; FREITAS, M. P. PLS and N-PLS-based MIA-QSTR modeling of the acute toxicities of phenylsulfonyl carboxylates to Vibrio fischeri. Molecular Simulation, v. 36, n. 12, p. 953-959, Nov. 2010. DOI: 10.1080/08927022.2010.492836.pt_BR
dc.identifier.urihttps://www.tandfonline.com/doi/full/10.1080/08927022.2010.492836pt_BR
dc.identifier.urihttp://repositorio.ufla.br/jspui/handle/1/41808-
dc.description.abstractDescriptors based on multivariate image analysis have been used to derive predictive QSTR models of the acute toxicities of phenylsulphonyl carboxylates to Vibrio fischeri. Classical and multilinear partial least squares, PLS and N-PLS, respectively, were applied as regression methods, demonstrating similar predictive capability to each other. Model performance was improved in c. 10% after removing an outlier, and the results were in general agreement with the ones previously obtained through CoMFA and extended topochemical atom indices analysis. Overall, this study showed that a simple procedure is able to give highly predictive models, useful in ecotoxicology, independent of the regression method used for this class of compounds.pt_BR
dc.languageen_USpt_BR
dc.publisherTaylor & Francispt_BR
dc.rightsrestrictAccesspt_BR
dc.sourceMolecular Simulationpt_BR
dc.subjectMIA-QSTRpt_BR
dc.subjectPhenylsulphonyl carboxylatespt_BR
dc.subjectVibrio fischeript_BR
dc.subjectPLSpt_BR
dc.subjectN-PLSpt_BR
dc.subjectMultivariate image analysis through quantitative structure toxicity relation (MIA-QSTR)pt_BR
dc.subjectPartial least squares (PLS)pt_BR
dc.subjectMultiway partial least squares (NPLS)pt_BR
dc.titlePLS and N-PLS-based MIA-QSTR modeling of the acute toxicities of phenylsulfonyl carboxylates to Vibrio fischeript_BR
dc.typeArtigopt_BR
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