Mostrando 3 resultados de: 3
Filtros aplicados
Subtipo de publicación
Article(3)
Publisher
Current Computer-Aided Drug Design(1)
International Journal of Molecular Sciences(1)
QSAR and Combinatorial Science(1)
Área temáticas
Química física(3)
Farmacología y terapéutica(1)
Ingeniería química(1)
Química analítica(1)
Área de conocimiento
Relación cuantitativa estructura-actividad(2)
Descubrimiento de fármacos(1)
Farmacología(1)
Ingeniería química(1)
Química ambiental(1)
Origen
scopus(3)
Conformation-independent QSPR approach for the soil sorption coefficient of heterogeneous compounds
ArticleAbstract: We pbkp_redict the soil sorption coefficient for a heterogeneous set of 643 organic non-ionic compouPalabras claves:Correlation and logic software, Estimation program interface suite software, Pharmaceutical data exploration laboratory software, quantitative structure-property relationships, Replacement method, Soil sorption coefficientAutores:Aranda J.F., Castro E.A., Martinez J.C.G., Pablo R. DuchowiczFuentes:scopusLacosamide derivatives with anticonvulsant activity as carbonic anhydrase inhibitors. Molecular modeling, docking and QSAR analysis
ArticleAbstract: Lacosamide is an anticonvulsant drug which presents carbonic anhydrase inhibition. In this paper, wePalabras claves:Anticonvulsant activity, Carbonic Anhydrase, Dragon descriptors, Lacosamide derivatives, Molecular docking, QSARAutores:Andrada M.F., Estrada M.R., Martinez J.C.G., Pablo R. Duchowicz, Torrens F., Vega-Hissi E.G.Fuentes:scopusQSPR modeling of heats of combustion for carboxylic acids
ArticleAbstract: In the present study, the pbkp_redictions for heats of combustion achieved with a modified Kharash mPalabras claves:Carboxylic acid, Heat of combustion, Multivariable regression analysis, QSPR TheoryAutores:Andrada M.F., Castro E.A., Fernandez F.M., Martinez J.C.G., Pablo R. DuchowiczFuentes:scopus