Artículos de revistas
Consensus hologram QSAR modeling for the prediction of human intestinal absorption
Fecha
2012Registro en:
BIOORGANIC & MEDICINAL CHEMISTRY LETTERS, OXFORD, v. 22, n. 8, supl. 1, Part 3, pp. 2889-2893, APR 15, 2012
0960-894X
10.1016/j.bmcl.2012.02.061
Autor
Moda, Tiago L.
Andricopulo, Adriano Defini
Institución
Resumen
Consistent in silico models for ADME properties are useful tools in early drug discovery. Here, we report the hologram QSAR modeling of human intestinal absorption using a dataset of 638 compounds with experimental data associated. The final validated models are consistent and robust for the consensus prediction of this important pharmacokinetic property and are suitable for virtual screening applications. (C) 2012 Elsevier Ltd. All rights reserved.