Blood-Brain Barrier permeability prediction (BBBper)
Blood-Brain Barrier (BBB) is a selectively permeable physico-chemical barrier that regulates the passage of a multitude of large and small molecules into the microenvironment of the neurons. The main purpose of the BBB is to protect the brain from circulating toxins or pathogens, that can cause brain infections, while also allowing essential nutrients to pass through. Although it seems that the BBB is helping our brains by limiting what can go in and out.
BBBper predicts the permeation of different chemicals across the Blood-Brain Barrier, along with other physico-chemical descriptors defining Lipinski's rule of 5.
BBBper source code is available atGitHub repository.
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