On the use of PLS and N-PLS in MIA-QSAR: Azole antifungals

Registro completo de metadados
MetadadosDescriçãoIdioma
Autor(es): dc.creatorGoodarzi, Mohammad-
Autor(es): dc.creatorFreitas, Matheus P.-
Data de aceite: dc.date.accessioned2026-02-09T12:52:48Z-
Data de disponibilização: dc.date.available2026-02-09T12:52:48Z-
Data de envio: dc.date.issued2020-06-14-
Data de envio: dc.date.issued2020-06-14-
Data de envio: dc.date.issued2009-03-
Fonte completa do material: dc.identifierhttps://repositorio.ufla.br/handle/1/41417-
Fonte completa do material: dc.identifierhttps://www.sciencedirect.com/science/article/abs/pii/S0169743908002104-
Fonte: dc.identifier.urihttp://educapes.capes.gov.br/handle/capes/1170082-
Descrição: dc.descriptionThe antifungal activities of a series of azole derivatives have been modeled by using MIA (multivariate image analysis) descriptors. Two regression methods were applied to correlate such descriptors with the activities column vector: bilinear (classical) and multilinear (N-way) partial least squares - PLS and N-PLS, respectively. The PLS-based model for this series of compounds demonstrated higher predictive ability than the N-PLS-based model, in opposition to some published results for other series of compounds. The activities block was taken in logarithmic scale (pMIC90(cpd)/pMIC90(bifonazole)) and the statistical performance of both models was found to be significantly better than the CoMFA analysis previously established.-
Idioma: dc.languageen-
Publicador: dc.publisherElsevier-
Direitos: dc.rightsrestrictAccess-
???dc.source???: dc.sourceChemometrics and Intelligent Laboratory Systems-
Palavras-chave: dc.subjectMIA-QSAR-
Palavras-chave: dc.subjectPLS regression-
Palavras-chave: dc.subjectN-PLS regression-
Palavras-chave: dc.subjectAntifungals-
Palavras-chave: dc.subjectMultivariate image analysis applied to quantitative structure-activity relationship (MIA-QSAR)-
Palavras-chave: dc.subjectPartial least squares regression-
Palavras-chave: dc.subjectMultiway partial least squares regression-
Título: dc.titleOn the use of PLS and N-PLS in MIA-QSAR: Azole antifungals-
Tipo de arquivo: dc.typeArtigo-
Aparece nas coleções:Repositório Institucional da Universidade Federal de Lavras (RIUFLA)

Não existem arquivos associados a este item.