Article ID Journal Published Year Pages File Type
1361296 Bioorganic & Medicinal Chemistry Letters 2012 5 Pages PDF
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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Physical Sciences and Engineering Chemistry Organic Chemistry
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