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Models for predicting blood–brain barrier permeation

✍ Scribed by Peter Aadal Nielsen; Olga Andersson; Steen Honoré Hansen; Klaus Bæk Simonsen; Gunnar Andersson


Book ID
113569334
Publisher
Elsevier Science
Year
2011
Tongue
English
Weight
274 KB
Volume
16
Category
Article
ISSN
1359-6446

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The blood-brain barrier permeation has been investigated by using a topological substructural molecular design approach (TOPS-MODE). A linear regression model was developed to predict the in vivo blood-brain partitioning coefficient on a data set of 119 compounds, treated as the logarithm of the blo