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Dear Members of the PharmPK Discussion group:
I am looking for a reliable physiological pk modeling software. Is there one
(commercially) available?
The model itself should already be defined and work fine. Modifications should
be possible easily.
Thanks.
Sincerely,
Elke Stahl
Preclinical Pharmacokinetics
BAYER, 42096 Wuppertal, Germany
email: elke.stahl.es.-a-.bayer-ag.de
phone: 011-49-202-364625
fax: 011-49-202-364224
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I recommend SCoP (Simulation Control Program) to run your PB-PK models. You
will have to write the basic models using their simple language but then the
program will construct a stand-alone executable file that can be modified
easily. The software is inexpensive and will run on IBM-PC format machines.
The documentation is well written and is actually helpful and the package
comes with many prewritten example model files that can be modified to suit
your needs.
The company can be reached at:
Simulation Resources, Inc.
Berrien Springs, MI
49103-1200.
616-473-3234
C. Edwin Garner
Predoctoral Fellow
Laboratory of Pharmacology and Chemistry
National Institute of Environmental Health Sciences
P.O. Box 12233
Research Triangle Park, NC 27709
919-541-1820
Garner1.-a-.niehs.nih.gov
_______________________________________________________________________________
From: PharmPK.aaa.pharm.cpb.uokhsc.edu on Wed, Jul 23, 1997 12:12
Subject: Physiological Modelling
To: Multiple recipients of PharmPK - Sent by
PharmPK - Discussions about Pharmacokinetics
Pharmacodynamics and related topics
Dear Members of the PharmPK Discussion group:
I am looking for a reliable physiological pk modeling software. Is there one
(commercially) available?
The model itself should already be defined and work fine. Modifications should
be possible easily.
Thanks.
Sincerely,
Elke Stahl
Preclinical Pharmacokinetics
BAYER, 42096 Wuppertal, Germany
email: elke.stahl.es.at.bayer-ag.de
phone: 011-49-202-364625
fax: 011-49-202-364224
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Try Dave D'Ardenio and Alan Schumitzky's ADAPT 2 software. You can enter
any ordinary differential equations and do parameter identification and
model simulation. Dave's phone is (213)740-0838, and his email is
dargenio.-at-.bmrs.usc.edu
Roger Jelliffe
************************************************
Roger W. Jelliffe, M.D.
USC Lab of Applied Pharmacokinetics
CSC 134-B, 2250 Alcazar St, Los Angeles CA 90033
Phone (213)342-1300, Fax (213)342-1302
email=jelliffe.-at-.hsc.usc.edu
************************************************
Take a look at our Web page for announcements of
new software and upcoming workshops and events!!
It is http://www.usc.edu/hsc/lab_apk/
************************************************
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Hello Elke,
I work quite a bit in this area and to the best of my knowledge there is no
"canned" PBPK modeling software available (that is, software in which the
PBPK model has already been programmed for you). People who work in this
area must program there PBPK models using several computer languages which
are commerically available. The most commonly used programming language is
ACSL (Advanced Continuous Simulation Language) (MGA Software, Concord, MA).
Some have also used SCoP (Simulation Resources, Inc., Berrien Springs, MI).
The standard computer software historically used for PBPK modeling has been
Dow Chemical's SimuSolv. This program incorporated both the ACSL programming
language as well as some other important modeling tools such as parameter
estimation\optimization and sensitivity analysis. Based on my experience
this is the best tool for PBPK modeling. Some universities still have the
program and it is possible you can get access to it via those sites. We have
access here at the University of California-Davis. The program requires a
mainframe or mini--it does not run on the PC.
MGA Software has come up with a replacement for Simusolv called ACSL
Optimize which does run on a PC. However, it is very expensive. The annual
license fee alone for an academic institution is $1500. Other much cheaper
alternatives that can be used are SCoP ($100) (616) 473-3234 or Scientist
for Windows $345 (Micromath Scientific Software) (801) 943-0290. These
latter programs also have no annual fee.
Hope you find this info. helpful. Feel free to email me directly should you
have any further questions.
**********************************************************************
Paul Damian PhD, MPH phone (916) 752-7507
Program Coordinator, Western Region fax (916) 752-0903
Food Animal Residue Avoidance Databank farad.-a-.ucdavis.edu (FARAD)
Dept. of Environmental Toxicology pdamian.aaa.ucdavis.edu (personal)
University of California
Davis, CA 95616
**********************************************************************
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> I am looking for a reliable physiological pk modeling software. Is there one
> (commercially) available?
> The model itself should already be defined and work fine. Modifications
>should
> be possible easily.
I do not think there is a single answer for you. I assume from your
question that you have little experience of PK modelling.
The best program I have seen to get started with modelling (PK, PD and variants
of interest in clinical pharmacology) is ModelMaker (http://www.cherwell.com
for a demo). This is a Windows based graphical model making system which
is easy to use for simple PK models and readily exensible to more
complex models such as physiological PK or PK-PD models. The graphical
representation of a model structure and the clear plots of the model
output are rapidly selectable and displayed.
If you move from simulation to parameter estimation then ModelMaker may
also help you but it is not as strong on estimation methods as other
programs which were primarily designed for that purpose e.g. Adapt, MKMODEL,
NonLin, et al.). These are all capable of simulating physiological PK
systems (with different degrees of user friendliness).
--
Nick Holford, Dept Pharmacology & Clinical Pharmacology
University of Auckland, Private Bag 92019, Auckland, New Zealand
email:n.holford.aaa.auckland.ac.nz tel:+64(9)373-7599x6730 fax:373-7556
http://www.phm.auckland.ac.nz/Staff/NHolford/nholford.html
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Dr. Damian is right that there is no PBPK modeling software
available, that's why MGA develped a new software package,
called ACSL Tox, for classical PK, PBPK, and PD modeling. The
software is designed for those people who want to do mathematics and
computer lagauage, but also for those people who don't want to be
bothered by mathematics and computer lagauage.
In ACSL Tox, there are built-in blocks which are the components
consisting of classical PK, PBPK, and PD models. Also, there are
exposure blocks to deal with acute, chronic and workday exposure;
Users are only need to connnect these blocks to build
their classical PK, PBPK, or PD models. In addition, it is easy for
users to modify the existing modelsin the package for their
special cases.
The built-in PD blocks can deal with simple Emax, Sigmoid
response, but also can deal with hysterisis loop, as well as
biologicall-based PD model, such as receptor mediated tissue
response. Users can use dose, internal dose (the concetration at
the site of action), AUC, or receptor occupany as the input in their
PD models..
Also, in ACSL Tox, there has features of parameter estimation,
sensitivity analysis, and Monte Carlo simulation. Furthermore, the
body weight growth can be easily handled in this package.
If you need further information, please conatct MGA.
xiaofeng
> At 10:36 AM 7/23/97 -0500, you wrote:
> >PharmPK - Discussions about Pharmacokinetics
> > Pharmacodynamics and related topics
> >
> >Dear Members of the PharmPK Discussion group:
> >
> >I am looking for a reliable physiological pk modeling software. Is
>there one
> >(commercially) available?
> >The model itself should already be defined and work fine. Modifications
>should
> >be possible easily.
> >Thanks.
> >
> >Sincerely,
> >
> >Elke Stahl
> >Preclinical Pharmacokinetics
> >BAYER, 42096 Wuppertal, Germany
> >email: elke.stahl.es.-at-.bayer-ag.de
> >phone: 011-49-202-364625
> >fax: 011-49-202-364224
> >
***************************************************
Xiaofeng Wang Web: WWW.MGA.COM
Applications Scientist 508-369-5115
xwang.at.mga.com 508-369-0013 FAX
MGA Software, Inc.
200 Baker Ave.
Concord, MA 01742
***************************************************
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There are numerous other packages available. We have used the SCoP
simulation language for a number of models. It's advantages are speed,
ability to code equations as either chemical equations or ODE's and
excellent fitting algorithms. Another package we use is MatLab SIMULINK.
It is similar to ACSL TOX, but without all of their pre-built boxes.
However, we have developed a number of boxes for classical PK modeling and
will gladly distribute our working structures to anyone wanting them. We
have also been using this package for stochastic compartmental models
(mostly interconnected birth-death processes like those for the multistage
model of cancer.
Please conatct me directly if you want more info.
C. Portier
>PharmPK - Discussions about Pharmacokinetics
> Pharmacodynamics and related topics
>
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Copyright 1995-2010 David W. A. Bourne (david@boomer.org)