Mostrando 4 resultados de: 4
Filtros aplicados
Subtipo de publicación
Article(4)
Publisher
Atmospheric Environment(1)
Bioorganic and Medicinal Chemistry(1)
Journal of Molecular Graphics and Modelling(1)
Match(1)
Área temáticas
Química analítica(2)
Bioquímica(1)
Enfermedades(1)
Farmacología y terapéutica(1)
Funcionamiento de bibliotecas y archivos(1)
Área de conocimiento
Relación cuantitativa estructura-actividad(3)
Bioquímica(1)
Carbon translates to Carbono.(1)
Farmacología(1)
Optimización matemática(1)
Origen
scopus(4)
A theoretical study of a family of new quinoxaline derivatives
ArticleAbstract: Hybrid density functional calculations are performed on a series of 21 new quinoxaline derivatives,Palabras claves:1 H chemical shifts, Harmonic vibrational frequencies, Hybrid density functional theory, Multiple regression analysis, QSPR Theory, QuinoxalinesAutores:Albesa A.G., Castañeta H., Castro E.A., Diez R.P., Fernandez F.M., Pablo R. DuchowiczFuentes:scopusAlternative algorithm for the search of an optimal set of descriptors in QSAR-QSPR studies
ArticleAbstract: We propose an algorithm for the search of an optimal set of descriptors from a pool of such regressiPalabras claves:Autores:Castro E.A., Fernandez F.M., Pablo R. DuchowiczFuentes:scopusQSAR for non-nucleoside inhibitors of HIV-1 reverse transcriptase
ArticleAbstract: By means of QSAR algorithms we model the potency pIC90 [mM] of 154 non-nucleoside reverse transcriptPalabras claves:Anti-HIV potency, Molecular descriptors, QSPR-QSAR, Reverse transcriptase inhibitorAutores:Caballero J., Castro E.A., Fernandez F.M., Fernández M., Pablo R. DuchowiczFuentes:scopusQSPR pbkp_rediction of the Dubinin-Radushkevich's k parameter for the adsorption of organic vapors on BPL carbon
ArticleAbstract: We propose a QSPR treatment to model a diverse set of pure organic vapors including 36 k parametersPalabras claves:Carbon adsorbent, Isotherm, Modeling, Physical adsorption, QSPR TheoryAutores:Castañeta H., Castro E.A., Fernandez F.M., Pablo R. Duchowicz, Vicente J.L.Fuentes:scopus