The blood-brain barrier (BBB) is a membrane separating the blood from the brain's extracellular fluid, hence blocking out most drugs (molecules) from reaching the brain. Because of this, the BBBP has been important to study for the development of new drugs that aim to target the central nervous system. The labels for this data set are binary (1 or 0) and indicate the permeability of the molecules.

The dataset contains 2,050 molecules. Each molecule has a molecule name, a label classification and a smiles molecule string.