Search the PBPK Model Repository

Quickly find freely available drug and population models in our PBPK model repository.

The models provided have been collated from published examples which authors have shared in our Published Model Collection or developed as part of various global health projects in our Global Health Collection. This search facility searches both model collections simultaneously.

To contribute published user compound and/or population files, upload your files here: Upload Model Files

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You can use a * character as a wildcard at the end of a alphanumeric search term. The search term must start with at least one character before the wildcard. E.g., Rifam* will get you “Rifampicin” and “Rifampin”.
You can also use a * character as a wildcard in the middle of a alphanumeric search term. The search term must still start with at least one character before the wildcard. E.g., Rif*in will also get you “Rifampicin” and “Rifampin” .
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Found 127 Matches

Hyperforin_V17R1_UniversityOfSydney_20190131

Model Files Publication

The submitted compound file describes the PBPK model for hyperforin (from St John's wort extract). The PBPK model implements first-order absorption model, full-PBPK (method 2) for its distribution and total CLint in HLM (whole organ metabolic clearance) calculated by the retrograde approach. The model accounts for the induction of CYP3A4, 2C9 and 2C19. It has been verified using the healthy population library available in Simcyp SImulator by default. The predictive performance of this model to predict herb-drug interactions with St John's wort was evaluated across a range of CYP substrates as detailed in the publication. https://link.springer.com/article/10.1007%2Fs40262-019-00736-6

Search Score: 1

Docetaxel_RES_V17R1_Simcyp_20180228

Model Files Publication

Simcyp developed Docetaxel compound file. Compound summary document included. This was developed as a research file and its current status and limitations are outlined in summary document.

Search Score: 1

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20220209

Model Files Publication

PBPK model of Hydroxychloroquine and its metabolite of Desethyl-hydroxychloroquine. This file is a further development of the file for Hydroxychloroquine (V18R1) also available within this database: In Vitro Antiviral Activity and Projection of Optimized Dosing Design of Hydroxychloroquine for the Treatment of Severe Acute Respiratory Syndrome Coronavirus 2 (SARS-CoV-2) - PubMed (nih.gov)

Search Score: 1

Chloroquine_V18R2_PekingUniversityThirdHospital_20200317

Model Files Publication

A perfusion limited full PBPK model of chloroquine published in Clin Inf Dis in 2020, the model includes an additional organ that can be used to represent lung tissue accumulation of the drug. Please note a custom dosing for 66 days has been included in the file.

Search Score: 1

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Hyperforin_V17R1_UniversityOfSydney_20190131

Docetaxel_RES_V17R1_Simcyp_20180228

Hydroxychloroquine_V18R1_PekingUniversityThirdHospital_20220209

Chloroquine_V18R2_PekingUniversityThirdHospital_20200317

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