LightBBB

LightBBB is a machine learning model to predict the permeability of chemical compounds through blood-brain-barrier. 

Dataset used in the study: https://share.lile.bio/software/LightBBB/LightBBB_dataset.zip
Prediction server: http://lightbbb.lile.bio
Citation: https://academic.oup.com/bioinformatics/article/37/8/1135/5942084