Metabolic stability is an extremely important factor to influence the potential of drugs, which refers to the susceptibility of compounds to biotransformation.

Pharmacokinetic parameters such as half-life time (T1/2) and clearance (CL) characterize metabolic stability. In vitro systems based on cells or subcellular fractions (mainly liver microsomal enzymes) are used for metabolic stability assessment.

Based on the freely available database ChEMBL v. 27, we collected more than 6,000 records containing the structures of compounds and their clearance and / or half-life time values obtained in vitro on microsomes of human, mouse, and rat liver.

GUSAR and PASS programs where used to create quantitative and qualitative models on the basis of collected data.