Mente and Lombardo (2005) develop models to predict the log
of the ratio of the concentration of a compound in the brain
and the concentration in blood. For each compound, they computed
three sets of molecular descriptors: MOE 2D, rule-of-five and
Charge Polar Surface Area (CPSA). In all, 134 descriptors were
calculated. Included in this package are 208 non-proprietary
literature compounds. The vector logBBB contains the concentration
ratio and the data fame bbbDescr contains the descriptor values.
data frame of chemical descriptors
vector of assay results