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The Simcyp Simulator
The Simcyp Population-based ADME Simulator is a high-speed, user-friendly, desktop platform that allows you to simulate pharmacokinetics in representative virtual populations, based on your in vitro data.
It contains numerous databases containing human physiological, genetic and epidemiological information. By integrating this information with your in vitro data, the Simulator allows you to predict pharmacokinetic behaviour in ‘real-world’ populations. This automated prediction of in vivo outcomes accelerates the assessment of large numbers of compounds, saving time and cost.
The Simcyp Population Based ADME Simulator provides valuable information for key management decisions relating to clinical trial design, clinical trial avoidance, and drug-drug interaction (DDI) information for the Summary of Product Characteristics (SPCs) and Prescribing Information sheets.
The Simcyp Simulator can also identify key pre-clinical data requirements, which can prove extremely valuable for redefining and optimising early drug development processes and procedures.
Key features of the Simulator:
- Fast
- User-friendly
- Up-to-date
- Transparent methods
- Cost-saving
- Time-saving
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Key features |
Key benefits |
- Automated in vitro extrapolation to predict in vivo outcomes, supporting the assessment of large numbers of compounds metabolised by multiple enzymes
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- Facilitates drug development by optimising the nomination of candidate drugs and the selection and design of in vivo studies, saving time and money
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- Incorporates inter-subject physiological variability
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- Allows prediction of drug disposition in real-world populations
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- High speed, user friendly desk-top application
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- Rapid identification of the mix of characteristics of individuals at greatest risk
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- Batch processing facility
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- Automates multiple simulations so a large number can be run in succession without further user input. This has proved particularly useful for sensitivity analysis.
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- Transparent algorithms and methodology and easily understood visual outputs through a variety of graphics interfaces
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- User-friendly and informative
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- Incorporates leading-edge science with continually updated databases
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- Your outputs are up-to-date, based on the latest scientific data
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- Consortium members guide the development of the Simulator and share 'best practice'
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- Simulator meets the current and future needs of the global pharmaceutical industry
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- Supported by scientific and technical teams
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- Help and advice at the end of the telephone
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Simcyp Population-based ADME Simulator, Version 8.0
New features have been incorporated into Version 8.0 and changes have been made to enhance capability and improve performance of the Simulator. These modifications were determined in consultation with the Simcyp Consortium and include:
- Expanded capabilities in the 'Advanced, Dissolution, Absorption and Metabolism' (ADAM) module to accommodate different formulations
- A mechanistic scaling approach for non-CYP metabolism (in gut, liver and kidney)
- The availability of new population libraries (Cirrhosis, Renal Impairment, Obesity, Japanese and Healthy Volunteer [from Phase I trials])
- In vitro - in vivo extrapolation of concentration-dependent CYP induction
- An update of the current compound and population library values
- A more comprehensive Help File within the simulator and the production of a Simcyp user manual.
In addition to the Consortium wish-list items, Version 8.0 also incorporates many other new features, including:
- HTML-based interfaces with improved inter- and intra-net compatibility
- An updated model to generate renal function based on serum creatinine
- The addition of physiological boundaries for renal excretory clearance
- The addition of a liver shunt feature to the PBPK models (necessary for Cirrhosis population)
- Modification of the permeability calibrators
The latest version of the Paediatric Simulator, ‘Simcyp Paediatric 2008’, has also been expanded and now includes many elements of the Version 8.0 physiologically-based pharmacokinetic (PBPK) model. Prediction of paediatric pharmacokinetics from in vitro data has always been possible with Simcyp Paediatric; however, a ‘retrograde calculator’ has now been implemented which allows paediatric clearance to be predicted from adult in vivo values. For more information, please see follow the link to the Simcyp Paediatric page.