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QSAR model for blood-brain barrier permeation.

著者 Toropov AA , Toropova AP , Beeg M , Gobbi M , Salmona M この記事をPubMed上で見るPubMedで表示
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Predicting blood-brain barrier permeability for novel compounds is an important goal for neurotherapeutics-focused drug discovery. It is impossible to determine experimentally the blood-brain barrier partitioning of all possible candidates. Consequently, alternative evaluation methods based on computational models are desirable or even necessary. The CORAL software (http://www.insilico.eu/coral) has been checked up as a tool to build up quantitative structure - activity relationships for blood-brain barrier permeation.
PMID: 28476566 [PubMed - as supplied by publisher]
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