Documentos de Fernandez F.M. | REDI

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Filtros aplicados

Área de conocimiento: "Bioquímica"

Subtipo de publicación

Publisher

Bioorganic and Medicinal Chemistry(2)

Journal of Molecular Graphics and Modelling(2)

Chemometrics and Intelligent Laboratory Systems(1)

Journal of Chemical Information and Modeling(1)

Área temáticas

Farmacología y terapéutica(3)

Química orgánica(3)

Fisiología humana(2)

Ingeniería química(2)

Química analítica(2)

Área de conocimiento

Relación cuantitativa estructura-actividad(5)

Farmacología(3)

Aprendizaje automático(1)

Cinética química(1)

Año de Publicación

Origen

Palabras Claves

Enhanced replacement method(2)

Flexible descriptors(2)

Genetic Algorithm(2)

Replacement method(2)

1,2,5-Thiadiazolidin-3-one 1,1-dioxide(1)

A comparative QSAR on 1,2,5-thiadiazolidin-3-one 1,1-dioxide compounds as selective inhibitors of human serine proteinases

Abstract: Selective inhibitors of target serine proteinases have a potential therapeutic role for the treatmen

Palabras claves:

1,2,5-Thiadiazolidin-3-one 1,1-dioxide, Flexible descriptors, molecular dynamics, QSAR Theory, serine proteases

Caram J.A., Castro E.A., Fernandez F.M., García J., Mirífico M.V., Pablo R. Duchowicz, Rozas M.F.

New hybrid genetic based support vector regression as QSAR approach for analyzing flavonoids-GABA(A) complexes

Abstract: Several studies were conducted in past years which used the evolutionary process of Genetic Algorith

Palabras claves:

Castro E.A., Fernandez F.M., Goodarzi M., Pablo R. Duchowicz, Wu C.H.

QSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase

Abstract: By means of QSAR algorithms we model the potency pIC90 [mM] of 154 non-nucleoside reverse transcript

Palabras claves:

Anti-HIV potency, Molecular descriptors, QSPR-QSAR, Reverse transcriptase inhibitor

Caballero J., Castro E.A., Fernandez F.M., Fernández M., Pablo R. Duchowicz

QSAR pbkp_rediction of inhibition of aldose reductase for flavonoids

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

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.

Pbkp_redictive modeling of the total deactivation rate constant of singlet oxygen by heterocyclic compounds

Abstract: We constructed a pbkp_redictive model of the total deactivation rate constant (kt) of singlet oxygen

Palabras claves:

Enhanced replacement method, Genetic Algorithm, heterocycles, QSPR, singlet oxygen

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

Pbkp_rediction 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