QSAR	Quantitative structure–activity relationship
ML	Machine learning
CADD	Computer-aided drug design
MCC	Matthews correlation coefficient
MSE	Mean squared error
GPCRs	G-protein-coupled receptors
ExtFP	Extended fingerprint
KlekFP	Klekota–Roth fingerprint
MACCSFP	MACCS fingerprint
IBk	k-nearest neighbor algorithm
RF	Random forest
SIFts	Structural interaction fingerprint