CCL: Open Source Toxicity Prediction and QSAR Software

HI Egon,
Thank you very much for the response to my query.

Sincerely,
Arindam

On Sat, Feb 18, 2012 at 2:53 AM, Egon Willighagen egon.willighagen%x%http://gmail.com">gmail.com <owner-chemistry!^!ccl.net> wrote:

Sent to CCL by: Egon Willighagen [egon.willighagen###gmail.com]
On Mon, Feb 6, 2012 at 5:38 PM, David Gallagher
gallagher.da^^^gmail.com <owner-chemistry__ccl.net> wrote:
> One option to consider is the OpenTox project at http://opentox.org/ which
> was funded by the EU from 2008-2011.  An example of a prototype toxicity
> predictor built with OpenTox is available at
> http://apps.ideaconsult.net:8080/ToxPredict , and a prototype tool to
> automatically build predictive models from your own training data is posted
> at http://www.toxcreate.org/create .

We have recently integrated OpenTox predictions into Bioclipse. Here's
the matching BMC Research Notes paper:

http://www.biomedcentral.com/1756-0500/4/487

Binaries can be downloaded from: http://bioclipse.net/opentox

I hope you like it,

Egon

--
Dr E.L. Willighagen
Postdoctoral Researcher
Department of Bioinformatics - BiGCaT
Maastricht University (http://www.bigcat.unimaas.nl/)
Homepage: http://egonw.github.com/
LinkedIn: http://se.linkedin.com/in/egonw
Blog: http://chem-bla-ics.blogspot.com/
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--

Arindam Ganguly, Ph.D.
Scientist, USP
Applied Compendial Research-Spectrometry Laboratory
http://www.linkedin.com/in/arindamganguly