OSP Suite Fact Sheet
Main modeling and simulation features:
PBPK modeling of small molecules and biologics
Species Extrapolation / First in Human dose prediction
Parent-Metabolite Studies / Drug-Drug-Interaction
Pediatric Study Design – PIP/PDP support
Special Populations: Hepatic/Renal impairment / Obese / Elderly / (Pre)term neonates / Children / Pregnant women / more
Formulations / Meal effects
PBPK/PD, QSP as well as pathway, network and disease modeling
Model building blocks | |
Organisms | Pre-parameterized whole-body PBPK models including detailed integrated GI tract for
Allowing for full flexibility for parameterization of (anthropo)metrics, anatomical and physiological properties, protein expression levels ETC. Most important organs included. For each organ optional processes can be added:
Biliary tract included, enables enterohepatic cycling
Scaling can be used to change the biometrics of an existing individual, i.e. an adult model may be scaled to an infant model while maintaining/scaling all specific modifications |
Populations | Database for population simulations with distributions of anatomical and physiological parameters for
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Protein Expression | The PK-Sim® library includes large-scale gene-expression data from publicly available sources which were downloaded, processed, stored and customized such that they can be directly utilized in PBPK model building. Public database which were imported are
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Compounds | Full ADME characterization of drugs including
and for large therapeutic molecules (e.g. antibodies)
Including a set of pre-parameterized standard compounds |
Partition Coefficients | Prediction models for tissue partition coefficients
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Permeability | Prediction models for cellular permeabilities and intestinal permeability |
Formulations |
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Administration protocols | Administration routes:
Administration Schemes:
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Events |
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Modeling tools | |
Parameter identification (PI) | A fully integrated PI Toolbox provides a straightforward means to adjust key model parameters automatically within user-defined ranges. It is possible to optimize multiple simulations, for example with different dose levels, and multiple observed data sets, simultaneously. A clear visualization of the optimization process and of the optimization results gives you full control and direct feedback whether the identification process was successful.
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Sensitivity Analysis | Sensitivity of PK-Parameters (AUC, CMax, …) vs. simulation parameters. Because PBPK models can be complex and contain numerous input parameters, it would be useful to know which input parameters have the most impact on the output curves. The Sensitivity Analysis tool provides an answer to this question. For a chosen simulation, the relative impact of selected - or all - input parameters on the PK parameters of the output curves is calculated and displayed. In addition, the input parameters can be ranked by their impact on a certain PK parameter of an output. Results of Sensitivity Analysis can be shown as:
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Lab Journal |
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Model Editor | Full transparency and full edit access to all structural model properties |
Simulation Tools | |
If a human individual or population is selected the growth of the human individual(s) during the simulation time will be taken into account when choosing this option. Based on the human growth and maturation functions available for most parameters in PK-Sim® (e.g. organ volumes, blood flow rates, organ composition, etc.) the parameters are updated along the time scale of the simulation. This is important for multiple drug administration to e.g. preterm and term neonates, for which the rapid changes in anatomical and physiological properties can influence the pharmacokinetics during the simulated study circle.
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Data | |
Data import | Import filters for
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Model import | Import of SBML models |
MoBi | |
Editing | Editing of PK-Sim simulations to the detail of all parameters, structural elements, transports, reactions, events, and more. |
Adding features to PK-Sim models, like tumors, complex molecular interactions, or non-standard drug applications | |
Display and editing of a simulation as tree or diagram | |
Comparing | Result comparison charts |
Simulation and building block comparison, exportable list of differences | |
Merging | Merging of building blocks from different simulations |
Simulating | Parameter identification and sensitivity analysis |
Re-sending simulations back to PK-Sim for population simulation | |
Documentation | Integrated working journal, sharable with PK-Sim, for documentation |
Automatic tracking of changes made in a history log file | |
Export | Export of simulated results as Excel file |
Various formats of model exports and listings, like XML, Excel | |
Import | Import of model parameters from Excel files |
Import of model files in SBML format for QSP model building | |
Building | Building models from scratch, like reaction pathways into a user-built spatial structure or for compartmental modeling |
Option to select frequently accessed parameters as favorites |
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