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Application of quantitative structure-property relationship analysis to estimate the vapor pressure of pesticides
ArticleAbstract: The application of molecular descriptors in describing Quantitative Structure Property RelationshipsPalabras claves:Multivariable Linear Regression (MLR), PESTICIDES, Quantitative Structure-Property Relationships (QSPR), Vapor pressure (VP)Autores:dos Santos Coelho L., Goodarzi M., Honarparvar B., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusNew hybrid genetic based support vector regression as QSAR approach for analyzing flavonoids-GABA(A) complexes
ArticleAbstract: Several studies were conducted in past years which used the evolutionary process of Genetic AlgorithPalabras claves:Autores:Castro E.A., Fernandez F.M., Goodarzi M., Pablo R. Duchowicz, Wu C.H.Fuentes:scopusLinear and non-linear relationships mapping the Henry's law parameters of organic pesticides
ArticleAbstract: This work aims to pbkp_redict the air to water partitioning for 96 organic pesticides by means of thPalabras claves:artificial neural networks, Dragon molecular descriptors, Henry's law constant, QSPR-QSAR Theory, Replacement methodAutores:dos Santos Coelho L., Goodarzi M., Ortiz E.V., Pablo R. DuchowiczFuentes:scopusQSAR analysis on Spodoptera litura antifeedant activities for flavone derivatives
ArticleAbstract: We establish useful models that relate experimentally measured biological activities of compounds toPalabras claves:Antifeedant activity, Flavone derivatives, pED 50, QSAR Theory, Replacement methodAutores:Autino J.C., Bennardi D.O., Castro E.A., Goodarzi M., Ocsachoque M.A., Ortiz E.V., Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M.Fuentes: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 Hildebrand parameter of various solvents using linear and nonlinear approaches
ArticleAbstract: The Hildebrand solubility parameter (δ) provides a numerical estimate of the degree of interaction bPalabras claves:artificial neural networks, Fullerene, Hildebrand parameter, QSPRAutores:Fernandez F.M., Freitas M.P., Goodarzi M., Pablo R. DuchowiczFuentes:scopusPbkp_redictive QSPR study of the dissociation constants of diverse pharmaceutical compounds
ArticleAbstract: The objective of the article was to perform a pbkp_redictive analysis, based on quantitative structuPalabras claves:Enhanced replacement method, Pharmaceutical compounds, pK a, QSPRAutores:Castro E.A., Fernandez F.M., Goodarzi M., Mercader A.G., Pablo R. DuchowiczFuentes:scopusPbkp_rediction of drug intestinal absorption by new linear and non-linear QSPR
ArticleAbstract: In order to minimize the high attrition rate that usually characterizes drug research and developmenPalabras claves:ADME properties, Drug intestinal absorption, Model's applicability domain, Molecular descriptors, QSPR Theory, Replacement methodAutores:Bellera C.L., Bruno-Blanch L.E., Castro E.A., Goodarzi M., Ortiz E.V., Pablo R. Duchowicz, Pesce G., Talevi A.Fuentes:scopuspK<inf>a</inf> modeling and pbkp_rediction of a series of pH indicators through genetic algorithm-least square support vector regression
ArticleAbstract: The pKa values of a series of 107 indicators have been modeled by means of a quantitative structure-Palabras claves:GA-LSSVR, PH indicators, pK a, quantitative structure-property relationships, SUPPORT VECTOR MACHINESAutores:Freitas M.P., Goodarzi M., Pablo R. Duchowicz, Wu C.H.Fuentes:scopusStudy on the removal of heavy metal ions from industry waste by carbon nanotubes: Effect of the surface modification: A review
ReviewAbstract: Removal of noxious materials such as heavy metal ions (which are hazardous above certain ppm concentPalabras claves:Adsorbent, Adsorption, carbon nanotubes, Heavy Metal Ions, Surface modificationAutores:Abdel Salam Hamdy Makhlouf, Agarwal S., Garshasbi A., Goodarzi M., Gupta V.K., Moradi O., Sadegh H., Shahryari-Ghoshekandi R., Tyagi I.Fuentes:scopus