Mostrando 6 resultados de: 6
Filtros aplicados
Publisher
Chemical Engineering Research and Design(1)
Environmental Science and Pollution Research(1)
Journal of Molecular Liquids(1)
Journal of the Argentine Chemical Society(1)
Medicinal Chemistry Research(1)
Área de conocimiento
Relación cuantitativa estructura-actividad(5)
Química ambiental(2)
Bioquímica(1)
Ciencia de materiales(1)
Espectroscopía(1)
Origen
scopus(6)
Estudio qspr en indices de refraccion de polimeros mediante descriptores flexibles
OtherAbstract:Palabras claves:Autores:Bacelo D.E., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopusQSAR studies of indoyl aryl sulfides and sulfones as reverse transcriptase inhibitors
ArticleAbstract: The inhibitory HIV reverse transcriptase activity of 172 non-nucleoside indoyl aryl sulfones and sulPalabras claves:CORAL, HIV reverse transcriptase inhibitors, Indoyl aryl sulfides and sulfones, PaDEL, QSARAutores:Bacelo D.E., Fioressi S.E., Ibezim N.E., Pablo R. Duchowicz, Palermo V., Romanelli G.P.Fuentes:scopusQSPR study of the Henry's law constant for heterogeneous compounds
ArticleAbstract: We establish a Quantitative Structure-Property Relationships study on the Henry's law constant of 53Palabras claves:Henry's law constant, Molecular descriptors, PESTICIDES, quantitative structure-property relationships, Replacement methodAutores:Aranda J.F., Bacelo D.E., Fioressi S.E., Pablo R. DuchowiczFuentes:scopusReplacement Orthogonal Wavelengths Selection as a new method for multivariate calibration in spectroscopy
ArticleAbstract: Wavelength selection is a critical step in multivariate calibration. Variable selection methods arePalabras claves:FCAM-PLS, near-infrared spectroscopy, Orthogonalization, Replacement method, ROWS-MLRAutores:Bacelo D.E., Fioressi S.E., Goodarzi M., Pablo R. DuchowiczFuentes:scopusPbkp_rediction of the aqueous solubility of diverse compounds by 2D-QSPR
ArticleAbstract: Non conformational QSPR models were built for the aqueous solubility (mol/L) at 25 °C of 5610 structPalabras claves:Aqueous solubility, Conformation-independent molecular descriptors, Linear regression models, quantitative structure-property relationshipsAutores:Aranda J.F., Bacelo D.E., Fioressi S.E., Pablo R. DuchowiczFuentes:scopusThe conformation-independent QSPR approach for pbkp_redicting the oxidation rate constant of water micropollutants
ArticleAbstract: In advanced water treatment processes, the degradation efficiency of contaminants depends on the reaPalabras claves:Molecular descriptors, quantitative structure-property relationships, Reaction rate constant, Replacement method, Water micropollutantAutores:Bacelo D.E., Bennardi D.O., Fioressi S.E., Ortiz E.V., Pablo R. DuchowiczFuentes:scopus