Automatic QSAR modeling of ADME properties: blood-...[J Comput ...
Automatic QSAR modeling of ADME properties: blood-brain barrier ... to data sets of blood-brain barrier penetration and aqueous solubility and compare the ...
http://www.ncbi.nlm.nih.gov/pubmed/18273554...
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References
Obrezanova O, Gola JM, Champness EJ, Segall MD: Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility. ...
http://www.biomedcentral.com/1471-2105/9/360/ref...
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Gaussian processes: a method for automatic QSAR mo...[J Chem Inf ...
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility. [J Comput Aided Mol Des. 2008]; Estimating the domain of ...
http://www.ncbi.nlm.nih.gov/pubmed/17602549...
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The QSAR and Modelling Society
descriptors as the basis for modeling aqueous solubility [11-13]. A large database of ...... to develop a QSAR model for blood-brain barrier partitioning.
...
http://www.ndsu.nodak.edu/qsar_soc/news/news2003.pdf...
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BioPortfolio - BioFocus
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility. In this article, we present an automatic model ...
http://www.bioportfolio.com/biocorporate/1539-BioFocus.html...
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References
Estimation of the aqueous solubility of organic compounds. ... Prediction of blood-brain barrier penetration. ... J Mol Graph Model 2000 18 605 615 ...
http://www.ncbi.nlm.nih.gov/books/bv.fcgi?rid=eurekah.biblis...
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The C1C2: A framework for simultaneous model selection and assessment
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility. J Comput Aided Mol Des. ...
http://www.pubmedcentral.nih.gov/articlerender.fcgi?artid=25...
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Discovery Studio 2.0
distribution,metabolism,excretion and toxicity (ADMET) properties for collections of ... absorption,aqueous solubility,blood brain barrier penetration
, ...
http://accelrys.com/products/datasheets/ds-overview-20.pdf...
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2006 FDA Science Forum - Abstracts by Title and Category
Methods: We built SVME models for Blood Brain Barrier and Madin-Darby Canine ...... When one adhesion barrier was used as a model system, these properties
...
http://www.cfsan.fda.gov/~frf/forum06/abs06ct.html...
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