CCL: Open Source Toxicity Prediction and QSAR Software



Hi David,
Thank you for your suggestions.

Sincerely,
Arindam

On Mon, Feb 6, 2012 at 11:38 AM, David Gallagher gallagher.da^^^gmail.com <owner-chemistry||ccl.net> wrote:

Sent to CCL by: David Gallagher [gallagher.da*o*gmail.com]
Hi Arindam,

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 .

An overview of the OpenTox project was presented at ACS last year:
http://www.softconference.com/ACSchem/sessionDetail.asp?SID=250349

Regards,
David Gallagher
CACheResearch.com



On 2/6/2012 7:14 AM, Arindam Ganguly arindamganguly(~)gmail.com wrote:
Sent to CCL by: "Arindam   Ganguly" [arindamganguly%%gmail.com]
Dear CCl users,
Good morning and hope you all had a great weekend.

I am asking 2 questions, as I understand, and please correct me if I have mis-
phrased the question.

I am seeking information on OpenSource Software available for Toxicity
prediction, preferably with a GUIs and on Windows Platform. I guess, the
software will accept a chemical structure and utilize QSAR for predicting
toxicity and compare it with published experimental results.

Thank you very much for sharing your thoughts and comments.

Sincerely,
Arindam>





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--

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