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Prediction of passive blood-brain partitioning: straightforward and effective classification models based on in silico derived physicochemical descriptors

The distribution of compounds between blood and brain is a very important consideration for new candidate drug molecules. In this paper, we describe the derivation of two linear discriminant analysis (LDA) models for the prediction of passive blood-brain partitioning, expressed in terms of log BB va...

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Bibliografiske detaljer
Main Authors: Vilar, Santiago, Chakrabarti, Mayukh, Costanzi, Stefano
Format: Artigo
Sprog:Inglês
Udgivet: 2010
Fag:
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC2873098/
https://ncbi.nlm.nih.gov/pubmed/20427217
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1016/j.jmgm.2010.03.010
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