ML	Machine Learning
RF	Random Forest
MD	Molecular Dynamics
SF	Scoring Function
FBDD	Fragment-Based Drug Design
VS	Virtual Screening
MW	Molecular Weight
SAR	Structure-Activity Relationship
QSAR	Quantitative Structure-Activity Relationship
EF	Enrichment Factor
ROC	Receiver Operating Characteristic
PDB	Protein Data Bank
RMSD	Root-Mean-Square Deviation
MUV	Maximum Unbiased Validation
DUD	Directory of Useful Decoys
GPCR	G-Protein-Coupled Receptor
LADS	Latent Actives in the Decoy Set
BEDROC	Boltzmann-Enhanced Discrimination of Receiver Operating Characteristic
AUC	Area Under the Curve
RIE	Robust Initial Enhancement
DUD-E	Directory of Useful Decoys, Enhanced
DEKOIS	Demanding Evaluation Kits for Objective in Silico Screening
HTX	High Throughput X-ray Crystallography
RO3	Rule of Three
DSF	Differential Scanning Fluorimetry
Rp	Pearson correlation coefficient
Rs	Spearman rank-correlation
BFGS	Broyden–Fletcher–Goldfarb–Shanno