BBB-score

A script using RDKit to reproduce the BBB score reported by Gupta^[1].

Reference

Gupta, M., Lee, H. J., Barden, C. J., & Weaver, D. F. (2019). THE BLOOD-BRAIN BARRIER (BBB) SCORE. Journal of Medicinal Chemistry. doi:10.1021/acs.jmedchem.9b01220