BBB Chemical Space

UMAP projection of 7,803 B3DB training compounds + 20 approved CNS drugs. Explore where molecules sit in BBB-permeable chemical space.

Loading chemical space (7,803 compounds)...

Legend
BBB+ (training)
BBB- (training)
Approved CNS Drug
Your Molecule
Stats
Training: 7,803
BBB+: 4,954 (63%)
BBB-: 2,849 (37%)
CNS Drugs: 20
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