Documentos de Fernandez F.M. | REDI

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Filtros aplicados

Año de Publicación: "2008"

Subtipo de publicación

Publisher

Chemometrics and Intelligent Laboratory Systems(2)

Bioorganic and Medicinal Chemistry(1)

Chemical Physics Letters(1)

Journal of Mathematical Chemistry(1)

Área temáticas

Ciencias de la computación(2)

Química analítica(2)

Aceites, grasas, ceras y gases industriales(1)

Farmacología y terapéutica(1)

Fisiología humana(1)

Área de conocimiento

Relación cuantitativa estructura-actividad(5)

Ciencias de la computación(1)

Espectroscopía(1)

Farmacología(1)

Objetivos de Desarrollo Sostenible

ODS 3: Salud y bienestar(5)

ODS 9: Industria, innovación e infraestructura(5)

ODS 12: Producción y consumo responsables(3)

ODS 17: Alianzas para lograr los objetivos(1)

ODS 6: Agua limpia y saneamiento(1)

Origen

Palabras Claves

Replacement method(3)

Aldose reductase inhibition(1)

Cataract prevention(1)

Dragon molecular descriptors(1)

Enhanced replacement method(1)

Application of a novel ranking approach in QSPR-QSAR

Abstract: In this study we present a simple algorithm based on the Partial Order Ranking (POR) technique which

Palabras claves:

molecular descriptor, Normal boiling point, Partial order ranking, QSPR-QSAR

Castro E.A., Fernandez F.M., Pablo R. Duchowicz

QSAR prediction of inhibition of aldose reductase for flavonoids

Abstract: We performed a predictive analysis based on quantitative structure-activity relationships (QSAR) of

Palabras claves:

Aldose reductase inhibition, Cataract prevention, Dragon molecular descriptors, Enhanced replacement method, Flavone derivative, Genetic Algorithm, QSAR, Replacement method

Autino J.C., Bennardi D.O., Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Romanelli G.P.

QSPR study of solvent quenching of the <sup>5</sup>D<inf>0</inf> →<sup> 7</sup>F<inf>2</inf> emission of Eu(6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-3,5-octanedionate)<inf>3</inf>

Abstract: We performed a predictive analysis, based on quantitative structure-property relationships (QSPR), o

Palabras claves:

Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz, Wolcan E.

Modified and enhanced replacement method for the selection of molecular descriptors in QSAR and QSPR theories

Abstract: We improve a recently developed Replacement Method (RM) for the selection of an optimal set of molec

Palabras claves:

Full Search, Multivariable Linear Regression, QSPR-QSAR Studies, Replacement method, Simulated Annealing Methodology

Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz

Prediction of aqueous toxicity for heterogeneous phenol derivatives by QSAR

Abstract: We provide QSAR models for the growth inhibition of the ciliated protozoan Tetrahymena pyriformis by

Palabras claves:

Flexible descriptors, IGC 50, Phenol derivatives, QSAR studies, Replacement method, Tetrahymena pyriformis

Castro E.A., Fernandez F.M., Mercader A.G., Pablo R. Duchowicz