From owner-chemistry@ccl.net Mon Feb  6 11:40:00 2012
From: "David Gallagher gallagher.da^^^gmail.com" <owner-chemistry:+:server.ccl.net>
To: CCL
Subject: CCL: Open Source Toxicity Prediction and QSAR Software
Message-Id: <-46252-120206113853-22303-TTv3DcpCgZwBb8M8qdVVzQ:+:server.ccl.net>
X-Original-From: David Gallagher <gallagher.da:-:gmail.com>
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Date: Mon, 06 Feb 2012 08:38:38 -0800
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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>
>
>