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Coloured chemical image-based models for the pbkp_rediction of soil sorption of herbicides
ArticleAbstract: Herbicides with high soil sorption profiles constitute important organic pollutants leading to detriPalabras claves:Autores:Freitas M.P., Freitas M.R., Stephen Jones BarigyeFuentes:scopusComputational modelling of the antischistosomal activity for neolignan derivatives based on the MIA-SAR approach
ArticleAbstract: Theoretical models for exploring the antischistosomal activity of a dataset of 18 synthetic neolignaPalabras claves:HCA, MIA-SAR, PCa, PLS-DA, Schistosoma mansoniAutores:da Mota E.G., Duarte M.H., Freitas M.P., Stephen Jones BarigyeFuentes:scopus2D-Discrete Fourier Transform: Generalization of the MIA-QSAR strategy in molecular modeling
ArticleAbstract: Adequate alignment of chemical structure images with respect to the basic scaffold in a series of chPalabras claves:2D-Discrete Fourier Transform, Magnitude spectrum, MIA-QSAR, multivariate imageAutores:Freitas M.P., Stephen Jones BarigyeFuentes:scopusExploring MIA-QSARs' for antimalarial quinolon-4(1H)-imines
ArticleAbstract: A series of quinolon-4(1H)-imines have been recently discovered as antimalarials, targeting both thePalabras claves:MALARIA, multiple linear regression, Multivariate image analysis, PLS-DA, QSAR, Quinolon-4(1H)-iminesAutores:Duarte M.H., Freitas M.P., Stephen Jones BarigyeFuentes:scopusIs molecular alignment an indispensable requirement in the MIA-QSAR method?
ArticleAbstract: For a decade, the multivariate image analysis applied to quantitative structure-activity relationshiPalabras claves:2D-Discrete Fourier Transform, MCF-7 cells, multivariate image, Multivariate image analysis, quantitative structure activity relationshipAutores:Freitas M.P., Stephen Jones BarigyeFuentes:scopusStructural and physicochemical interpretation of GT-STAF information theory-based indices
ArticleAbstract: The underlyi ng structural and physicochemical interpretation of the recently defined information inPalabras claves:Autores:Freitas M.P., Pérez-Giménez F., Stephen Jones Barigye, Yovani Marrero-Ponce, Zupan J.Fuentes:scopus