In Silico Prediction of Caco-2 Cell Permeability by a Classification QSAR Approach

Autor:	Hai Pham The, Isabel González-Álvarez, Marival Bermejo, Victor Mangas Sanjuan, Inmaculada Centelles, Teresa M. Garrigues, Miguel Ángel Cabrera-Pérez
Rok vydání:	2011
Předmět:	Virtual screening Quantitative structure–activity relationship In silico Organic Chemistry Computational biology Biology Bioinformatics Computer Science Applications Structural Biology Molecular descriptor Drug Discovery Human intestinal absorption Molecular Medicine Cell permeability
Zdroj:	Molecular Informatics. 30:376-385
ISSN:	1868-1743
DOI:	10.1002/minf.201000118
Popis:	In the present study, 21 validated QSAR models that discriminate compounds with high Caco-2 permeability (Papp ≥8×10(-6) cm/s) from those with moderate-poor permeability (Papp
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_dedup___::9e514c9721d04c49f85d94e7c5e10090 https://doi.org/10.1002/minf.201000118 Zobrazit plný text záznamu Plný text