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Index of Ideality of Correlation: new possibilities to validate QSAR: a case study
ArticleAbstract: New criterion of the pbkp_redictive potential of quantitative structure – property/activity relationPalabras claves:CORAL software, Fathead minnow, Index of ideality of correlation, Monte Carlo method, QSAR, ToxicityAutores:Ramón Carbö-D̈orca, Toropov A.A., Toropova A.P.Fuentes:scopusQSPR studies on refractive indices of structurally heterogeneous polymers
ArticleAbstract: We developed a pbkp_redictive Quantitative Structure-Property Relationship (QSPR) for the refractivePalabras claves:CORAL software, Graph Theory, Monte Carlo method, polymer, QSPR Theory, Refractive indexAutores:Bacelo D.E., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.Fuentes:scopusThe Monte Carlo method based on eclectic data as an efficient tool for pbkp_redictions of endpoints for nanomaterials-two examples of application
ArticleAbstract: The theoretical pbkp_redictions of endpoints related to nanomaterials are attractive and more efficiPalabras claves:CORAL software, Optimal descriptor, Quasi-QSPR/QSARAutores:Castro E.A., Kudyshkin V.O., Leszczynska D., Leszczynski J., Nesmerak K., Pablo R. Duchowicz, Raska I., Toropov A.A., Toropova A.P., Veselinović A.M., Veselinović J.B.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