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dc.creatorGuimarães, Maria C.-
dc.creatorMota, Estella G.da-
dc.creatorSilva, Daniel G.-
dc.creatorFreitas, Matheus P.-
dc.date.accessioned2020-07-12T23:37:34Z-
dc.date.available2020-07-12T23:37:34Z-
dc.date.issued2014-05-15-
dc.identifier.citationGUIMARÃES, M. C. et al. Aug-MIA-QSPR modelling of the toxicities of anilines and phenols to Vibrio fischeri and Pseudokircheriella subcapitata. Chemometrics and Intelligent Laboratory Systems, [S.l.], v. 134, p. 53-57, May 2014. DOI: 10.1016/j.chemolab.2014.03.005.pt_BR
dc.identifier.urihttps://www.sciencedirect.com/science/article/abs/pii/S016974391400046Xpt_BR
dc.identifier.urihttp://repositorio.ufla.br/jspui/handle/1/41841-
dc.description.abstractAniline and phenol derivatives are known as aquatic pollutants, while the bacteria Vibrio fischeri and the algae Pseudokirchneriella subcapitata are widely used as ecotoxicological indicators. The toxicities of a series of aniline and phenol derivatives toward these living systems have been modelled using an augmented multivariate image analysis applied to quantitative structure–property relationship (aug-MIA-QSPR). The models for both organisms were found to be highly predictive and reliable for the estimation of properties of similar compounds, given the satisfactory validation performances. In addition, principal component analysis (PCA) has been performed using the aug-MIA descriptors to search for clusters comprised by compounds with different levels of environmental hazard.pt_BR
dc.languageen_USpt_BR
dc.publisherElsevierpt_BR
dc.rightsrestrictAccesspt_BR
dc.sourceChemometrics and Intelligent Laboratory Systemspt_BR
dc.subjectAug-MIA-QSPRpt_BR
dc.subjectAnilinespt_BR
dc.subjectPhenolspt_BR
dc.subjectEcotoxicitypt_BR
dc.titleAug-MIA-QSPR modelling of the toxicities of anilines and phenols to Vibrio fischeri and Pseudokircheriella subcapitatapt_BR
dc.typeArtigopt_BR
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