PK-DB: pharmacokinetics database for individualized and stratified computational modeling

Nucleic Acids Res. 2021 Jan 8;49(D1):D1358-D1364. doi: 10.1093/nar/gkaa990.


A multitude of pharmacokinetics studies have been published. However, due to the lack of an open database, pharmacokinetics data, as well as the corresponding meta-information, have been difficult to access. We present PK-DB (, an open database for pharmacokinetics information from clinical trials. PK-DB provides curated information on (i) characteristics of studied patient cohorts and subjects (e.g. age, bodyweight, smoking status, genetic variants); (ii) applied interventions (e.g. dosing, substance, route of application); (iii) pharmacokinetic parameters (e.g. clearance, half-life, area under the curve) and (iv) measured pharmacokinetic time-courses. Key features are the representation of experimental errors, the normalization of measurement units, annotation of information to biological ontologies, calculation of pharmacokinetic parameters from concentration-time profiles, a workflow for collaborative data curation, strong validation rules on the data, computational access via a REST API as well as human access via a web interface. PK-DB enables meta-analysis based on data from multiple studies and data integration with computational models. A special focus lies on meta-data relevant for individualized and stratified computational modeling with methods like physiologically based pharmacokinetic (PBPK), pharmacokinetic/pharmacodynamic (PK/PD), or population pharmacokinetic (pop PK) modeling.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Area Under Curve
  • Body Weight
  • Caffeine / pharmacokinetics
  • Clinical Trials as Topic
  • Contraceptives, Oral / administration & dosage
  • Databases, Factual*
  • Dose-Response Relationship, Drug
  • Drug Administration Routes
  • Drug Administration Schedule
  • Drug Dosage Calculations
  • Gene Ontology
  • Half-Life
  • Humans
  • Models, Statistical*
  • Molecular Sequence Annotation*
  • Prescription Drugs / pharmacokinetics*
  • Smoking / physiopathology


  • Contraceptives, Oral
  • Prescription Drugs
  • Caffeine