BBB	Blood–brain barrier
BCRP	Breast cancer resistance protein
P-gp	P-glycoprotein
CNS	Central nervous system
SMILES	Simplified Molecular Input Line Entry System
ECFP4	Extended Connectivity Fingerprint
MMFF94	Merck Molecular Force Field
SDF	Structure-Data File
TMAP	Tree MAP
PDB	Protein Data Bank
PDBQT	Protein Data Bank, Partial Charge and Atom Type
GNN	Graph Neural Network
GCN	Graph Convolution Network
GAT	Graph Attention Network
ELU	Exponential Linear Unit
SVM	Support Vector Machine
RF	Random Forest
TPSA	Topological Polar Surface Area
HBA	Hydrogen Bond Acceptor
HBD	Hydrogen Bond Donor
RGCN	Relational Graph Convolution Network
QSAR	Quantitative structure activity relationship
PBPK	Physiologically Based pharmacokinetics