From owner-chemistry@ccl.net Mon Feb 6 12:46:00 2012 From: "Arindam Ganguly arindamganguly(0)gmail.com" To: CCL Subject: CCL: Open Source Toxicity Prediction and QSAR Software Message-Id: <-46253-120206124439-20294-AmL0+hymCLtlUNXMoHsyGA,+,server.ccl.net> X-Original-From: Arindam Ganguly Content-Type: multipart/alternative; boundary=20cf303f6d6a010a0c04b84f376b Date: Mon, 6 Feb 2012 12:44:31 -0500 MIME-Version: 1.0 Sent to CCL by: Arindam Ganguly [arindamganguly _ gmail.com] --20cf303f6d6a010a0c04b84f376b Content-Type: text/plain; charset=ISO-8859-1 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> http://www.ccl.net/cgi-bin/**ccl/send_ccl_message http://www.ccl.net/cgi-bin/**ccl/send_ccl_message chemistry/announcements/**conferences/ > > Search Messages: http://www.ccl.net/chemistry/**searchccl/index.shtml http://www.ccl.net/spammers.**txt > > RTFI: http://www.ccl.net/chemistry/**aboutccl/instructions/ > > > -- Arindam Ganguly, Ph.D. Scientist, USP Applied Compendial Research-Spectrometry Laboratory http://www.linkedin.com/in/arindamganguly --20cf303f6d6a010a0c04b84f376b Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Hi David,
Thank you for your suggestions.

Sinc= erely,
Arindam

On Mon, Feb 6, 2012 at = 11:38 AM, David Gallagher gallagher.da^^^gmail= .com <o= wner-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. =A0An 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 you= r 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/sessio= nDetail.asp?SID=3D250349

Regards,
David Gallagher
CACheResearch.com



On 2/6/2012 7:14 AM, Arindam Ganguly arindamganguly(~)gmail.com wrote:
Sent to CCL by: "Arindam =A0 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 m= is-
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


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