title: Consensus hologram QSAR modeling for the prediction of human intestinal absorption.
abstract: 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.
authors.affiliation: Laboratório de Química Medicinal e Computacional, Instituto de Física de São Carlos, Universidade de São Paulo, São Carlos-SP, Brazil.
authors.forename: Tiago L
authors.initials: TL
authors.lastname: Moda
authors.forename: Adriano D
authors.initials: AD
authors.lastname: Andricopulo
mesh_terms: D006696:Holography; D006801:Humans; D007408:Intestinal Absorption; D008954:Models, Biological; D015394:Molecular Structure; D021281:Quantitative Structure-Activity Relationship