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Mechanistic algorithms for PK are becoming more popular amongst PKPD
modellers; however in many cases measured values of some fundamental
parameter are not available. The Simcyp Population-Based ADME
Simulator contains a Prediction Toolbox, which allows a user to
quickly estimate a number of different ADME-related parameters.
This set of tools has proved popular amongst the modellers within
Simcyp Consortium Members organisations and so we are pleased to
announce that we have decided to make it freely available on-line at
the following website http://www.simcyp.com/ProductServices/
Currently, using these tools you can predict the following
parameters: fu (the fraction of drug unbound in plasma) for an
average person using two different approaches; fu mic (the fraction
of drug unbound in a microsomal incubation); QGut (a nominal drug-
dependent flow term used in the prediction of 'first-pass' drug
metabolism in the gut wall); and assess the likely impact of atypical
More tools will be added in the future pending on feedback received.
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