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
QSARINS	QSAR Insubria
OECD	Organisation for Economic Co-operation and Development