Aug-MIA-QSPR modelling of the toxicities of anilines and phenols to Vibrio fischeri and Pseudokircheriella subcapitata

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorGuimarães, Maria C.-
Autor(es): dc.creatorMota, Estella G.da-
Autor(es): dc.creatorSilva, Daniel G.-
Autor(es): dc.creatorFreitas, Matheus P.-
Data de aceite: dc.date.accessioned2026-02-09T12:34:17Z-
Data de disponibilização: dc.date.available2026-02-09T12:34:17Z-
Data de envio: dc.date.issued2020-07-12-
Data de envio: dc.date.issued2020-07-12-
Data de envio: dc.date.issued2014-05-15-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41841-
Fonte completa do material: dc.identifierhttps://www.sciencedirect.com/science/article/abs/pii/S016974391400046X-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1163959-
Descrição: dc.descriptionAniline 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.-
Idioma: dc.languageen-
Publicador: dc.publisherElsevier-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceChemometrics and Intelligent Laboratory Systems-
Palavras-chave: dc.subjectAug-MIA-QSPR-
Palavras-chave: dc.subjectAnilines-
Palavras-chave: dc.subjectPhenols-
Palavras-chave: dc.subjectEcotoxicity-
Título: dc.titleAug-MIA-QSPR modelling of the toxicities of anilines and phenols to Vibrio fischeri and Pseudokircheriella subcapitata-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

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