- A
large set of default parameters (e.g. organ volumes, blood flows,
volume of distribution) that can be called upon. For example, all
the values required for human studies are setup simply by a call
to "standardhuman". (The current version also implements a "standardrat").
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- A
plot of the time course of GI absorption can be output, using, as
input, the experimental venous blood levels after an oral intake.
A new technique is used to invert the model equations in order to
obtain an accurate solution for the GI input.
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-
The
first pass liver metabolism and peripheral availability of a GI
administered drug is directly determined (and plotted as output).
This determination uses a new definition of first pass metabolism
that is applicable to the case of non-linear (saturable) liver
metabolism.
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-
Plasma
and extracellular protein binding is treated rigorously and the
option of non-linear (saturable) protein binding is included
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- Rigorous
modeling of capillary permeability limitations.
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-
The model of the lung used for the volatile solute incorporates
ventilation-perfusion mismatch.
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- An arbitrary multiple dosage regimen can be simulated and
plotted.
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- Any or all of the model parameters can be optimized to give
the best fit to the experimental data using a rigorous global
(simulated annealing) and/or local non-linear
Powell minimization routine that has a simple interface.
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-
The
PBPK model human antecubital vein blood concentration can be
output and plotted, and the antecubital vein concentrations can be
used to refine the PBPK parameters.
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- An
arbitrary number of simultaneously interacting solutes can be
modeled. Two types of interaction (competitive or non-competitive
inhibition) are allowed. Also, the case where some solutes are
converted into other solutes can be modeled, with a separate Vm
and Km for each substrate/product pair.
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