Documentos de Saavedra L.M. | REDI

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Filtros aplicados

Palabras Claves: "CORAL software"

Subtipo de publicación

Publisher

Chemometrics and Intelligent Laboratory Systems(1)

Molecular Informatics(1)

Área temáticas

Ingeniería y operaciones afines(1)

Química analítica(1)

Química física(1)

Química orgánica(1)

Área de conocimiento

Ciencia de materiales(1)

Año de Publicación

Origen

Palabras Claves

Monte Carlo method(2)

Bioconcentration Factor(1)

Graph Theory(1)

Index of ideality of correlation(1)

Molecular descriptors(1)

QSPR studies on refractive indices of structurally heterogeneous polymers

Abstract: We developed a pbkp_redictive Quantitative Structure-Property Relationship (QSPR) for the refractive

Palabras claves:

CORAL software, Graph Theory, Monte Carlo method, polymer, QSPR Theory, Refractive index

Bacelo D.E., Fioressi S.E., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.

The Use of the Index of Ideality of Correlation to Build Up Models for Bioconcentration Factor

Abstract: We establish a QSPR analysis for the bioconcentration factor of 851 heterogeneous structural compoun

Palabras claves:

Bioconcentration Factor, CORAL software, Index of ideality of correlation, Molecular descriptors, Monte Carlo method, QSPR, Replacement method

Castro E.A., Pablo R. Duchowicz, Saavedra L.M., Toropov A.A., Toropova A.P.