Fig. 1.

Summary statistics of the collected PK dataset and of various compound properties. A Overview of the number of concentration–time profiles and compounds during and at the end of the PK data retrieval process. B Physico-chemical and pharmacokinetic properties of compounds in the retrieved PK dataset. LogD, LogP, aqueous solubility and CACO2 permeability are given as the mean of values predicted in silico by the different prediction tools used in this study. Plasma clearance values are the median of in vivo values collected from the literature. Ionisation at physiological pH (7.4) was predicted using ChemAxon