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Predicts Blood-Brain-Barrier (BBB) permeability from drug clinical phenotypes (drug side effects and drug indications). CASE-BBB prediction can apply to both small compounds and macro-molecules penetrating BBB through various mechanisms besides passive diffusion. It accounts for passive diffusion as well as a putative contribution by active transport and other complex mechanisms. This method not only applies to the Food and Drug Administration (FDA) approved drugs but also applies to the tested/testing drugs, the failed drugs due to lack of expected efficiency, and the withdrawn drugs due to toxic or others reasons, as long as clinical phenotype data of these drugs are available.

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CASE-BBB prediction specifications

Software type:
Package
Restrictions to use:
None
Computer skills:
Advanced
Interface:
Command line interface
Operating system:
Unix/Linux
Stability:
Stable

Publications

  • (Gao et al., 2016) Predict drug permeability to blood–brain-barrier from clinical phenotypes: drug side effects and drug indications. Bioinformatics.
    DOI: 10.1093/bioinformatics/btw713

Credits

Institution(s)

Department of Epidemiology and Biostatistics, Case Western Reserve University, Cleveland, OH, USA; Department of Electrical Engineering and Computer Science, Case Western Reserve University, Cleveland, OH, USA

Funding source(s)

This project is funded by the Eunice Kennedy Shriver National Institute of Child Health & Human Development of the National Institutes of Health under the NIH Directors New Innovator Award number DP2HD084068.

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