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New Predictive Models for Blood—Brain Barrier Permeability of Drug-like Molecules

PURPOSE: The goals of the present study were to apply a generalized regression model and support vector machine (SVM) models with Shape Signatures descriptors, to the domain of blood—brain barrier (BBB) modeling. MATERIALS AND METHODS: The Shape Signatures method is a novel computational tool that w...

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Detalhes bibliográficos
Main Authors: Kortagere, Sandhya, Chekmarev, Dmitriy, Welsh, William J., Ekins, Sean
Formato: Artigo
Idioma:Inglês
Publicado em: 2008
Assuntos:
Acesso em linha:https://ncbi.nlm.nih.gov/pmc/articles/PMC2803117/
https://ncbi.nlm.nih.gov/pubmed/18415049
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1007/s11095-008-9584-5
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