BBB	blood–brain barrier
CNS	central nervous system
LogBB	logarithm of the blood–brain partitioning
QSAR	quantitative structure-activity relationship
CoMFA	comparative molecular field analysis
CoMSIA	comparative molecular similarity index analysis
AI	artificial intelligence
ESP	electrostatic potential
MW	molecular weight
amu	atomic mass unit
PCA	principal component analysis
ANN	artificial neural network
GPU	graphics processing unit
AUC	area under the time-versus-concentration curve