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Ecotoxicology and Environmental Safety(1)
Journal of the Argentine Chemical Society(1)
Molecular Informatics(1)
SAR and QSAR in Environmental Research(1)
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Ingeniería y operaciones afines(2)
Química analítica(2)
Química orgánica(2)
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Farmacología y terapéutica(1)
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Bioquímica(2)
Ciencia de materiales(2)
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Relación cuantitativa estructura-actividad(2)
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Origen
scopus(4)
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:scopusQSPR study on refractive indices of solvents commonly used in polymer chemistry using flexible molecular descriptors
ArticleAbstract: A pbkp_redictive Quantitative Structure–Property Relationship (QSPR) for the refractive indices of 3Palabras claves:CORAL method, Graph Theory, polymer, QSPR Theory, Refractive indexAutores:Bacelo D.E., Cui W.P., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M.Fuentes:scopusQuantitative Structure-Antifungal Activity Relationships for cinnamate derivatives
ArticleAbstract: Quantitative Structure-Activity Relationships (QSAR) are established with the aim of analyzing the fPalabras claves:Antifungal activity, Cinnamate derivatives, Molecular descriptors, QSAR TheoryAutores:Pablo R. Duchowicz, Romanelli G.P., Ruiz D.M., Saavedra L.M.Fuentes:scopusThe Use of the Index of Ideality of Correlation to Build Up Models for Bioconcentration Factor
ArticleAbstract: We establish a QSPR analysis for the bioconcentration factor of 851 heterogeneous structural compounPalabras claves:Bioconcentration Factor, CORAL software, Index of ideality of correlation, Molecular descriptors, Monte Carlo method, QSPR, Replacement methodAutores:Castro E.A., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopus