SMILES	Simplified Molecular-Input Line-Entry System
GA	Genetic Algorithm
MLR	Multiple Linear Regression
QSAR	Quantitative Structure−Activity Relationship
WHO	World Health Organization
ADMET	Absorption, Distribution, Metabolism, Excretion, and Toxicity
OLS	Ordinary least square
SARS-CoV	Severe Acute Respiratory Syndrome Coronavirus
QSARINS	QSAR Insubria
HTS	High-throughput screening
MDS	Molecular Dynamics Simulation
Mpro	Main protease
OECD	Organisation for Economic Co-operation and Development