Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
1361296 | Bioorganic & Medicinal Chemistry Letters | 2012 | 5 Pages |
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.
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Related Topics
Physical Sciences and Engineering
Chemistry
Organic Chemistry
Authors
Tiago L. Moda, Adriano D. Andricopulo,