Qualitative prediction of blood–brain barrier permeability on a large and refined dataset
نویسندگان
چکیده
منابع مشابه
Qualitative prediction of blood–brain barrier permeability on a large and refined dataset
The prediction of blood-brain barrier permeation is vitally important for the optimization of drugs targeting the central nervous system as well as for avoiding side effects of peripheral drugs. Following a previously proposed model on blood-brain barrier penetration, we calculated the cross-sectional area perpendicular to the amphiphilic axis. We obtained a high correlation between calculated ...
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ژورنال
عنوان ژورنال: Journal of Computer-Aided Molecular Design
سال: 2011
ISSN: 0920-654X,1573-4951
DOI: 10.1007/s10822-011-9478-1