Implements the blood brain barrier score described in the following paper
J. Med. Chem. 2019, 62, 21, 9824-9836
https://doi.org/10.1021/acs.jmedchem.9b01220
pip install BBB_calculatorfrom BBB_calculator import BBB_score
score = BBB_score(1, 20, 300.29, 1, 7, 122.46, 2.86)
print(score)
# Prints: 1.815645...For more detailed documentation, see: https://frequencykg.github.io/BBB_calculator/
To publish a new version of this package:
python setup.py sdist
# Install sphinx with: pip install -U sphinx
make html
# Install twine with: pip install twine
twine upload dist/*