SUMMARY: Pharmacokinetics Software

Vernon Keenan vern at BioData.COM
Tue Apr 5 17:34:57 EST 1994

Here's a summary of responses I've received to my "what's the best
pharmacokentics software out there" posting.

Many thanks to all who took the time to respond!

Summary: There aren't many programs out there for PK novices -- most seem
require some expertise in nonlinear regression techniques and the ability
to code models in FORTRAN.

I'll keep this summary up to date if anyone sends me any corrections or
updates. I'll repost to bionet.software periodically.

Vernon Keenan
BioData, Inc.
Internet: vern at biodata.com
1825 South Grant Street, Suite 620
San Mateo, CA 94402
Voice: 415-513-8950


From: mhamiltn%dres.dnd.ca (Dr. Murray G. Hamilton)

>Software For Science catalog (SciTech
>International - call 1-800-622-3345 for a free copy of the catalog) of a
>product called MINSQ and MINSQ Pharmacokinetic Library. 

This number does not work from Canada. Could you please E-mail a 
"real" number to me. Thanks in advance.


**** The non-800 number for SciTech International is +1 312-472-0444 ****

- Vern


From: christo1 at fmi.ch (Christen Tobias)

I would highly appreciate a summary! Thanks!

In wuarchive.wustl.edu there is kinsim a tool for the mac (rather low 
level but flexible..) it is in the directory /packages/kinsim

Cheers and thank you for the summary



From: GEXFABRY at cmu.unige.ch (Marianne Gex-Fabry)

I recently made a survey of software packages available for analysis
of pharmacokinetic data. More than 40 products have been cited to me, 
mostly for IBM compatible PCs. A complete list of these products, 
together with information about how to obtain them, is being sent to 
you by normal mail. 
Please note that the list together with a general discussion of features
and requirements of the different products will be part of a chapter
entitled "Considerations on data analysis using computer methods and
currently available software for personal computers" by M. Gex-Fabry 
and L.P. Balant, to be published soon in "Handbook of Experimental
Pharmacology", volume 110 "Pharmacokinetics of drugs" (Welling and Balant,
eds), Springer, Berlin. 
With best regards,              Marianne Gex-Fabry


From: ahb at gene.com (Ann Benninger)

We use NONLIN84 from SCI Software in Lexington KY.  It 
is available on IBM compatibles and in 2 source (fortran) 
versions; for VMS and a 'portable' version.  I'm using
the VMS specific version on our UNIX machines because the
portable version is pretty lean.  NONLIN84 is inexpensive 
and it is standard.  Check out BIOPAK from the same vendor.

A less standard program is available from USC and is
called ADAPT.  It is also in fortran and distributed
in source.  I think there's a SUN version in addition
to the VMS version.  

C  D. Z. D'Argenio, Biomedical Simulations Resource  (BMSR)           *
C  University of Southern California                                  *
C  Los Angeles, California 90089-1451                                 *

Note: to use ADAPT, the PK group needs to have at least 
one person who's comfortable writing fortran subroutines 
to describe the PK models.

 - Ann


From: DOSIO at silver.ch.unito.it (Franco Dosio)

Dear Vernon,
to obtain a (complete) list of available pharmacokinetic software, try  to
NISS bbs. At sun.nsf.ac.uk (pass. janet) host: uk.ac.niss.bb
In the directory P8B7.
To analize the pharmacokinetic data of MAb, toxin and drugs I'm using
Pcnonlin 4.0 (SCI software, Lexington, Kentuky, tel 606-224-2438) and
it works fine, but it runs only on PC or Vax.

Franco Dosio
Ist. Chim.Farm.Applicata
University of Turin, Italy
DOSIO at silver.ch.unito.it
U196CFA at csivms.csi.it

**** Here is the catalog Franco was talking about!                   ****

To get access to this bulletin board do this:

    telnet sun.nsf.ac.uk
    user janet
    pass janet

    Hostname: uk.ac.niss.bb

- Vern

        Title: Boomer and MultiForte
        Subject Area: Pharmacokinetics
        Description: Non-linear regression programs for the
        Macintosh and IBM PC. Weighted non-linear regression,
        simulations, Bayesian analysis, and Iteratively Reweighed
        Least Squares analyses are possible. In MultiForte models
        are specified by modifying model definition subroutines in
        FORTRAN. In Boomer the model is defined by the selection
        of parameters such as dose, first-order rate constant, volume
        etc. Integrated and differential equation type models are
        possible. Fitting algorithms include Gauss-Newton,
        Marquardt, and simplex. Numerical integration routines
        include Runge-Kutta, Runge-Kutta-Fehlberg, and Gears

Section P8B7                                                   Page    2
of   14

        Hardware:  Macintosh and IBM PC
        Contact:  David Bourne  OU HSC College of Pharmacy, 1110 N
        Oklahoma City, OK 73117-1223, USA  Tel (405) 271-6471
        david-bourne at uokhsc.edu
        Cost:40 dollars for Mac version          Source: D. Bourne
Section P8B7                                                   Page    3
of   14

        Title: Pharmacokinetics Simulation
        Subject Area: Pharmacokinetics
        Description: Simulation software written for the Apple II
        computer. Students select model type, input plot
        descriptions input parameter values and the computer
        presents a linear or semi-log plot of the calculated
        values. With appropriate printer hard copy is available.
        Written in AppleSoft BASIC. Models include one or two
        compartment pharmacokinetic models, single and mutiple
        dose. Only integrated equation models are included in the
        Apple II version
Section P8B7                                                   Page    4
of   14

        Hardware: Apple IIe being ported to the Macintosh (68020+)
        Contact: David Bourne, OU HSC College of Pharmacy, 1110 N
        Oklahoma City, OK 73117-1223  USA Tel:(405) 271-6471
        david-bourne at uokhsc.edu
        Cost: Distribution Only                  Source: D. Bourne
Section P8B7                                                   Page    5
of   14

        Title: Kinetics Workshops
        Subject Area: Pharmacokinetics
        Description: Workshops to compliment pharmacokinetics
        undergraduate course self assesment style.
        Hardware: BBC Software
        Contact: Dr H Crystyn Pharm Technology School of Pharmacy
                 Bradford University Bradford UK Tel 0279 733466
                 Extn 558
        Cost: 50 pounds                          Source: DIT
Section P8B7                                                   Page    6
of   14

        Title: Pharmod
        Subject Area: Pharmacokinetics
        Description: Powerful but very friendly pharmacokinetic
        modeling program. Models 2 different pharmacokinetic
        situations including linear and non linear elimination.
        Sample tutorial and demonstration disc available.
        Hardware: IBM compatable PC
        Contact: Dr P H Rowe Health Sciences Liverpoll Poly Byrom
                 Street Liverpool UK  Tel 051 207 3581 Ext 2069
        Cost 200 pounds                          Source: DIT
Section P8B7                                                   Page    7
of   14

        Title:  Maxsim
        Subject Area: Pharmacokinetics
        Description: Pharmacokinetics simulation
        Hardware: IBM-compatable PC
        Contact: Gabrielsson Biopharmaceutics & Pharmacokinetics
                 Box 580, BMC S-75123 Uppsala Sweden
        Cost: 70 pounds                          Source: DIT

Section P8B7                                                   Page    8
of   14

        Title: Mupharm - Human Drug Kinetics
        Subject Area: Pharmacokinetics
        Description: Simulation program in Pharmacokinetics
        Hardware: IBM-compatable PC
        Contact: IRL Press Oxford University Press Eynsham Oxford
        Cost: 100 pounds approx                  Source: DIT
Section P8B7                                                   Page    9
of   14

        Title: MacDope
        Subject Area: Pharmacokinetics
        Description: Computer simulation of pharmacokinetics which
        enables patient factors and drug factors to be changed.
        Changes are reflected in drug concs. in biological fluids.
        Hardware: Mainframe computer
        Contact: Dr D Ingram Dept of Medicine St Bartholomews
                 West Smithfield London UK
        Cost:                                    Source: DIT

Section P8B7                                                   Page   10
of   14

        Title: ADAPT II
        Subject Area: Pharmacokinetics
        Description: Non-linear regression programs for the
        VAX/VMS, DOS, or SUN/UNIX. Models are specified using
        FORTRAN statements. Requires a FORTRAN compiler as each
        model is recompiled before use. Simulation can be error free
        of with noise or based on population values. Uses the LSODA
        method for numerical integration (which is suitable for non-
        stiff and stiff problems). The program will perform simplex
        optimization, maximum likelihood and Bayesian fitting or
        will develop optimal sampling designs.
        Hardware:  VAX/VMS, DOS, or SUN/UNIX
        Contact:  David Z. D'Argenio, Biomedical Simulations
        Resource, University of Southern California, Los Angeles
        CA 90089-1451, USA Tel (213) 740-0839
        Cost: Free (in U.S.)                     Source: D. Bourne
Section P8B7                                                   Page   12
of   14

        Title: NONMEM
        Subject Area: Pharmacokinetics
        Description: Computer prgram for fitting nonlinear mixed
        effects (statistical regression-type) models. These
        techniques are particularly useful where the data are
        population pharmacokinetic data and when there are few
        measurements from each subject and/or the variation between
        subjects is considerable.
        Hardware:  Computer capable of compiling FORTRAN77 code, but
        workstation, mainframe recommended.
        Contact:  Dr Stuart Beal, The NONMEM Project Group, Clinic-255,
        University of California, CA 94143 USA
        Cost: Academic US$150 per year             Source: D. Bourne

Section P8B7                                                   Page   13
of   14

        Title: SAAM30 and CONSAM
        Subject Area: Pharmacokinetics
        Description: Computer programs for performing non-
        linear regression analysis. Models are specified by
        means of various parameters or free-form equations.
        SAAM30 is operated in batch mode while CONSAM is more
        interactive. Numerical integration routines are available
        non-stiff and stiff systems.
        Hardware:  VAX/VMS and DOS
        Contact:  Loren A. Zech, M.D., N.I.H./NCI, Laboratory of
        Mathematical Biology, MD 20892 USA Tel (301) 496-8914
        Cost: Free (in U.S.)                     Source: D. Bourne
Section P8B7                                                   Page   14
of   14

        Title: Pharmacokinetics
        Subject Area: Pharmacokinetics
        Description: CAL porgrams in pharmacokinetics
        Hardware: (1) BBC   (2) IBM-compatable PC
        Contact: (1) Alan Kensley  (2) Dr Foster, Dept of Pharmacy
                 Manchester University Manchester UK Tel: 061 2752340
        Cost:                                    Source: DIT
| Vernon Keenan                  | Voice:    415-513-8940     |
| President                      | Fax:      415-312-8086     |
| BioData, Inc.                  | Internet: vern at BioData.COM |
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| San Mateo, California 94402    |                            |

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