B3DB is a large biological benchmark dataset released by McMaster University in Canada. The related paper results are:A curated diverse molecular database of blood-brain barrier permeability with chemical descriptors", which aims to provide a benchmark dataset for small molecule blood-brain barrier permeability modeling.

This dataset, compiled from 50 published sources, provides selected physicochemical properties of these molecules, with numerical logBB values for some of the molecules (1,058 compounds), and the entire dataset contains both numerical data (1,058 logBB values) and categorical data (4,956 BBB+ and 2,851 BBB−).