AD	atopic dermatitis
RF	Random Forest
LassoCV	Lasso regression with cross-validation
EN	Elastic Net
XGB	Extreme Gradient Boosting
ML	Machine learning
MD	Molecular dynamics
OB	oral bioavailability
DL	drug-likeness
PPI	protein–protein interaction
GO	Gene Ontology
KEGG	Kyoto Encyclopedia of Genes and Genomes
GEO	Gene Expression Omnibus
ACC	accuracy
AUC	area under the curve
MCC	Matthews correlation coefficient
Sen	sensitivity
Spe	specificity
RFE	Recursive Feature Elimination
AUROC	area under the receiver operating characteristic curve
SMOTE	Synthetic Minority Oversampling Technique
ADASYN	Adaptive Synthetic Sampling
RUS	Random Undersampling
ROS	Random Oversampling
B-SMOTE	Borderline-SMOTE
SVM-SMOTE	Support Vector Machine SMOTE
RMSD	root mean square deviation
Rg	radius of gyration
SASA	solvent-accessible surface area
RMSF	root mean square fluctuation
DSSP	definition of secondary structure of proteins
DCCM	Dynamic Cross-Correlation Matrix
MM/PBSA	Molecular Mechanics/Poisson-Boltzmann Surface Area