Partial Least Square and Hierarchical Clustering in ADMET Modeling: Prediction of Blood - Brain Barrier Permeation of α-Adrenergic and Imidazoline Receptor Ligands

Partial Least Square and Hierarchical Clustering in ADMET Modeling: Prediction of Blood - Brain Barrier Permeation of α-Adrenergic and Imidazoline Receptor Ligands

PURPOSE. Rate of brain penetration (logPS), brain/plasma equilibration rate (logPS-brain), and extent of blood-brain barrier permeation (logBB) of 29 α-adrenergic and imidazoline-receptors ligands were examined in Quantitative-Structure-Property Relationship (QSPR) study. METHODS. Experimentally det...

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Main Authors: Katarina Nikolic (Author), Slavica Filipic (Author), Adam Smoliński (Author), Roman Kaliszan (Author), Danica Agbaba (Author)
Format: Book
Published: Frontiers Media S.A., 2013-11-01T00:00:00Z.
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