Please use this identifier to cite or link to this item: http://repositorio.ufla.br/jspui/handle/1/41416
metadata.artigo.dc.title: MIA-QSTR study of different organic compounds to Pimephales promelas
metadata.artigo.dc.creator: Freitas, Matheus P.
metadata.artigo.dc.subject: MIA-QSTR
Organic compounds
Phimephales promelas
Toxicity
Multivariate image analysis through quantitative structure toxicity relation (MIA-QSTR)
Multivariate image analysis (MIA)
Quantitative structure toxicity relationship (QSTR)
metadata.artigo.dc.publisher: Springer
metadata.artigo.dc.date.issued: Jan-2009
metadata.artigo.dc.identifier.citation: FREITAS, M. P. MIA-QSTR study of different organic compounds to Pimephales promelas. Medicinal Chemistry Research, [S.l.], v. 18, p. 648-655, Jan. 2009.
metadata.artigo.dc.description.abstract: A quantitative structure–toxicity relationship (QSTR) model based on multivariate image analysis was built to predict the toxicity of 30 organic compounds against fathead minnow (Pimephales promelas), a fish species of wide occurrence. The derived multivariate image analysis (MIA) applied to QSTR (MIA-QSTR) model provided good correlation between chemical structure and toxicity, i.e., r 2 of 0.96, q 2 of 0.59, and q220%q20%2 of 0.61 – the squared correlation coefficients of the linear regression of experimental versus predicted 50% lethal concentration (LC50) plots for the calibration, leave-one-out,and leave-20%-out cross-validation, respectively. The method demonstrated the potential to be used as a tool for prediction of toxicity data in vertebrate animals.
metadata.artigo.dc.identifier.uri: https://link.springer.com/article/10.1007/s00044-008-9156-6
http://repositorio.ufla.br/jspui/handle/1/41416
metadata.artigo.dc.language: en_US
Appears in Collections:DQI - Artigos publicados em periódicos

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