Open Systems Pharmacology PBPK Model Library¶
Physiologically Based Pharmacokinetic (PBPK) and Quantitative Systems Pharmacology (QSP) Modeling Platform¶
This comprehensive library provides PBPK (Physiologically Based Pharmacokinetic) models and detailed model evaluation reports from the Open Systems Pharmacology project. Our PBPK and QSP modeling and simulation software (including PK-Sim® and MoBi®) enables whole-body physiologically based pharmacokinetic modeling for pharmaceutical research, drug development, and systems biology applications.
How to Use These Models¶
Each PBPK model in this library includes:
- HTML Report: Comprehensive evaluation report with pharmacokinetic modeling details, validation data, and simulation results
- PDF Report: Downloadable model evaluation report for offline reference
- PK-Sim Project Files (
.pksim5): Ready-to-use model files that can be opened directly in PK-Sim®
These models are built using the Open Systems Pharmacology Suite and can be used for e.g.:
- Drug-drug interaction (DDI) predictions
- Dose optimization and scaling across populations
- Pediatric and special population modeling
Available PBPK Models and Evaluation Reports¶
Antibiotics¶
Antivirals¶
| Compound (HTML Report) | PDF Report | PK-Sim Project File(s) |
|---|---|---|
| Atazanavir | Atazanavir_evaluation_report.pdf | Atazanavir-Model.pksim5 |
| Efavirenz | Efavirenz_evaluation_report.pdf | Efavirenz-Model.pksim5 |
| Raltegravir | Raltegravir_evaluation_report.pdf | Raltegravir-Model.pksim5 Raltegravir-Pediatrics.pksim5 |
Antifungals¶
| Compound (HTML Report) | PDF Report | PK-Sim Project File(s) |
|---|---|---|
| Omeprazole | Omeprazole_evaluation_report.pdf | Omeprazole-Model.pksim5 |
Anesthetics & Analgesics¶
| Compound (HTML Report) | PDF Report | PK-Sim Project File(s) |
|---|---|---|
| Alfentanil | Alfentanil_evaluation_report.pdf | Alfentanil-Model.pksim5 Alfentanil-Pediatrics.pksim5 |
| Sufentanil | Sufentanil_evaluation_report.pdf | Sufentanil-Pediatrics.pksim5 Sufentanil.pksim5 |
Sedatives & Anxiolytics¶
| Compound (HTML Report) | PDF Report | PK-Sim Project File(s) |
|---|---|---|
| Alprazolam | Alprazolam_evaluation_report.pdf | Alprazolam-Model.pksim5 |
| Midazolam | Midazolam_evaluation_report.pdf | Midazolam-Model.pksim5 |
| Triazolam | Triazolam_evaluation_report.pdf | Triazolam-Model.pksim5 |
Anticonvulsants¶
| Compound (HTML Report) | PDF Report | PK-Sim Project File(s) |
|---|---|---|
| Carbamazepine | Carbamazepine_evaluation_report.pdf | Carbamazepine-Model.pksim5 |
| S-Mephenytoin | S-Mephenytoin_evaluation_report.pdf | S_Mephenytoin-Model.pksim5 |
Cardiovascular Agents¶
Antibodies & Biologics¶
Other Compounds¶
| Compound (HTML Report) | PDF Report | PK-Sim Project File(s) |
|---|---|---|
| Fluvoxamine | Fluvoxamine_evaluation_report.pdf | Fluvoxamine-Model.pksim5 |
| Moclobemide | Moclobemide_evaluation_report.pdf | Moclobemide-Model.pksim5 |
| Tizanidine | Tizanidine_evaluation_report.pdf | Tizanidine-Model.pksim5 |
Frequently Asked Questions (FAQ)¶
What is a PBPK model?¶
A Physiologically Based Pharmacokinetic (PBPK) model is a mathematical model that predicts the absorption, distribution, metabolism, and excretion (ADME) of drugs in the body. PBPK models incorporate anatomical, physiological, and biochemical information to simulate drug concentration-time profiles in various tissues and organs.
How do I open a .pksim5 file?¶
.pksim5 files are PK-Sim project files that can be opened with the PK-Sim® software, part of the Open Systems Pharmacology Suite. Download PK-Sim for free from www.open-systems-pharmacology.org. After installation, simply double-click the .pksim5 file or open it from within PK-Sim.
Are these models validated?¶
Yes, all models in this library have undergone comprehensive evaluation. Each model includes detailed evaluation reports documenting the validation against clinical pharmacokinetic data, including goodness-of-fit assessments and predictive performance metrics.
How can I cite these models?¶
Each model page includes specific citation information in the evaluation report. In general, please cite the Open Systems Pharmacology project and the specific model evaluation report. Additional details can be found on the Open Systems Pharmacology website.
What software do I need?¶
To use these models, you'll need the Open Systems Pharmacology Suite, which includes:
- PK-Sim®: For PBPK modeling and simulation
- MoBi®: For more advanced mechanistic modeling (optional)
Both tools are free and open-source, available at www.open-systems-pharmacology.org.