Mostrando 7 resultados de: 7
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Chemometrics and Intelligent Laboratory Systems(2)
Combinatorial Chemistry and High Throughput Screening(1)
Journal of the Argentine Chemical Society(1)
Molecular Informatics(1)
Quantitative Structure-Activity Relationships in Drug Design, Pbkp_redictive Toxicology, and Risk Assessment(1)
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Ingeniería y operaciones afines(2)
Química analítica(2)
Química física(2)
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Ecología(1)
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Relación cuantitativa estructura-actividad(4)
Bioquímica(2)
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Origen
scopus(7)
Conformation-independent QSAR on c-Src tyrosine kinase inhibitors
ArticleAbstract: The main idea of this work was to find pbkp_redictive quantitative structure-activity relationshipsPalabras claves:C-Src tyrosine kinase, Multivariable linear regression analysis, Pyrrolo-pyrimidine derivatives, QSAR Theory, Structural descriptorsAutores:Castro E.A., Comelli N.C., Kolacz M., Ortiz E.V., Pablo R. Duchowicz, Toropov A.A., Toropova A.P.Fuentes:scopusEstudio 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:scopusIndex 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:scopusQSPR/QSAR analyses by means of the CORAL software: Results, challenges, perspectives
Book PartAbstract: In this chapter, the methodology of building up quantitative structure-property/activity relationshiPalabras claves:Autores:Bacelo D.E., Benfenati E., Carotti A., Castro E.A., Leszczynska D., Leszczynski J., Nesmerak K., Nicolotti O., Pablo R. Duchowicz, Rasulev B., Toropov A.A., Toropova A.P., Veselinović A.M., Veselinović J.B.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