Table 1.

Key parameters that describe the pharmacokinetic behavior of a drug.

ADMET	Description	Parameters
Physicochemical properties [a]	Intrinsic physical and chemical characteristics of a substance	log P, log S, pKa
Absorption [b]	Transportation of the unmetabolized drug from the site of administration to the body circulation system	Caco-2, HIA, HOB, Pgp
Distribution [c]	Reversible transfer of an unmetabolized drug through the body’s blood and tissues	BBB, PPB
Metabolism [d]	Biotransformation of pharmaceutical substances in the body so that they can be easily eliminated	CYP450, Metabolites, HLMS, Sites
Elimination [e]	The removal of an administered drug from the body	Cl, t1/2
Toxicity [f]	The level of damage that a compound can inflict on an organism	Acute toxicity, carcinogenicity, hERG, Ames

[a] Physicochemical properties: log P—log of octanol/water partition coefficient; log S—log of the solubility in mol/L; pKa—negative log of the acid dissociation constant (Ka). [b] Absorption: Caco-2—human intestinal permeability; HIA—Human Intestinal Absorption; HOB—Human Oral Bioavailability; PgP—Permeability glycoprotein. [c] Distribution: BBB—Blood–Brain Barrier penetration; PPB—Plasma Protein Binding. [d] Metabolism: CYP450—Cytochrome P450 inhibition; Metabolites—Metabolite prediction: HLMS—Human Liver Microsomal Stability; Sites—Points susceptible to initiating metabolic transformation. [e] Elimination: Cl—Clearance; t1/2—Half-life time. [f] Toxicity: Acute toxicity—Oral acute toxicity; Carcinogenicity—Capability of inducing cancer; hERG—Cardiac toxicity; AMES—Mutagenicity.