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Vilnius, Lithuania

Lanevskij K.,Pharma Algorithms Inc | Japertas P.,Pharma Algorithms Inc | Didziapetris R.,Pharma Algorithms Inc | Petrauskas A.,Pharma Algorithms Inc
Neuromethods | Year: 2010

This chapter presents a mechanistic approach to in silico prediction of blood-brain barrier penetration by drugs and drug-like molecules. Focus is brought to critical analysis of experimental data used for modeling; several factors affecting data quality are discussed. The main experimental techniques used for measuring brain uptake are also briefly reviewed. The chapter provides a theoretical background for obtaining physicochemically reasonable and easily interpretable predictions of passive diffusion across blood-brain barrier, as well as some general advices regarding descriptor selection and model development. © 2010 Humana Press, a part of Springer Science+Business Media, LLC. Source

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