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