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Bioorganic and Medicinal Chemistry(1)
Current Computer-Aided Drug Design(1)
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scopus(3)
Application of descriptors based on Lipinski's rules in the QSPR study of aqueous solubilities
ArticleAbstract: We complement new physically interpretable descriptors inspired by the Lipinski's rules of drug bioaPalabras claves:Aqueous solubility, Molecular descriptors, QSPR Theory, Replacement methodAutores:Bellera C.L., Bruno-Blanch L.E., Castro E.A., Pablo R. Duchowicz, Talevi A.Fuentes:scopusAn Integrated drug development approach applying topological descriptors
ArticleAbstract: We describe the opportunities posed by computer-assisted drug design in the light of two aspects ofPalabras claves:ADMET filters, Classifiers, drug repurposing, Linear models, QSAR, Replacement method, Topological descriptors, Virtual ScreeningAutores:Bellera C.L., Bruno-Blanch L.E., Castro E.A., Di Ianni M., Pablo R. Duchowicz, Talevi A.Fuentes:scopusPbkp_rediction of drug intestinal absorption by new linear and non-linear QSPR
ArticleAbstract: In order to minimize the high attrition rate that usually characterizes drug research and developmenPalabras claves:ADME properties, Drug intestinal absorption, Model's applicability domain, Molecular descriptors, QSPR Theory, Replacement methodAutores:Bellera C.L., Bruno-Blanch L.E., Castro E.A., Goodarzi M., Ortiz E.V., Pablo R. Duchowicz, Pesce G., Talevi A.Fuentes:scopus