predictive toxicology

Lawrence Segal am879 at FreeNet.Carleton.CA
Wed Jun 7 16:57:10 EST 1995


Christophe Verlinde (verlinde at u.washington.edu) writes:
> Are there programs around to predict the toxicity of organic molecules?
> My screening of the literature only revealed programs to predict
> carcinogenicity.
> Thanks,
> Christophe Verlinde
> Dept .of Biological structure
> Univ. of Washington SM20
> Seattle WA98195

Yes, there is one that I am aware of and have used.  It's called TOPKAT,
and is produced by a compnay called Health Designs Inc. (HDI) in
Rochester, New York.  The principal author on most of the papers they
have published on QSAR models is Dr. Kurt Enslein.  You should be able to
find info if you search under his name or TOPKAT. 

--
Lawrence Segal
Ottawa, Ontario, CANADA



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