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QSAR Modeling of the Blood–Brain Barrier Permeability for Diverse Organic Compounds

✍ Scribed by Liying Zhang; Hao Zhu; Tudor I. Oprea; Alexander Golbraikh; Alexander Tropsha

Publisher
Springer US
Year
2008
Tongue
English
Weight
306 KB
Volume
25
Category
Article
ISSN
0724-8741

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✍ Manuel Urbano Cuadrado; Irene Luque Ruiz; Miguel Ángel Gómez-Nieto 📂 Article 📅 2007 🏛 John Wiley and Sons 🌐 English ⚖ 472 KB

## Abstract A QSAR model for predicting the blood brain barrier permeability (BBBP) in a large and heterogeneous variety of compounds (136 compounds) has been developed using approximate similarity (AS) matrices as predictors and PLS as multivariate regression technique. AS values fuse information