From owner-chemistry@ccl.net Mon Feb 20 15:31:00 2012 From: "Arindam Ganguly arindamganguly,+,gmail.com" To: CCL Subject: CCL: Open Source Toxicity Prediction and QSAR Software Message-Id: <-46350-120220142830-28766-HCHoT1vyTLCChW9axkWRXQ ~ server.ccl.net> X-Original-From: Arindam Ganguly Content-Type: multipart/alternative; boundary=20cf3011df23fc9fce04b96a4bfa Date: Mon, 20 Feb 2012 14:28:19 -0500 MIME-Version: 1.0 Sent to CCL by: Arindam Ganguly [arindamganguly]*[gmail.com] --20cf3011df23fc9fce04b96a4bfa Content-Type: text/plain; charset=ISO-8859-1 Dear Gini, Thank you very much for sharing the resource. Sincerely, Arindam On Mon, Feb 20, 2012 at 10:59 AM, Giuseppina Gini gini.:.elet.polimi.it < owner-chemistry|a|ccl.net> wrote: > > Sent to CCL by: "Giuseppina Gini" [gini{=}elet.polimi.it] > Dear Arindam > > > you can find a set of QSAR models (persistance, BCF, mutagenicity, skin > sensitization, etc) free to use on the VEGA platform > > http://www.vega-qsar.eu > > You can download the application to run on your computer, or use the web > interface and send the molecules you want to study. What you get is the > property value with a full analysis of the applicability domain. > The site is under continous extension, so all the comments are welcome. > > Sincerely, > > Giuseppina Gini > > > On Sat, 18 Feb 2012 12:56:16 -0500 > "Arindam Ganguly arindamganguly(~)gmail.com" > wrote: > >> 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% >> gmail.com 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 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/ >>> PubList: http://www.citeulike.org/user/**egonw/tag/papers >>> > >>> >>> >>> >> >> -- >> >> Arindam Ganguly, Ph.D. >> Scientist, USP >> Applied Compendial Research-Spectrometry Laboratory >> http://www.linkedin.com/in/**arindamganguly 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 --20cf3011df23fc9fce04b96a4bfa Content-Type: text/html; charset=ISO-8859-1 Content-Transfer-Encoding: quoted-printable Dear Gini,
Thank you very much for sharing the resource.

=
Sincerely,
Arindam

On Mon, = Feb 20, 2012 at 10:59 AM, Giuseppina Gini gini.:.elet.polimi.it <owner-chemistry|a|ccl.net> wrote:

Sent to CCL by: "Giuseppina Gini" [gini{=3D}elet.polimi.it]
Dear Arindam


you can find a set of QSAR models (persistance, BCF, mutagenicity, skin sen= sitization, etc) =A0free to use on the VEGA platform

http://www.vega-qsar.= eu

You can download the application to run on your computer, or use the web in= terface =A0and send the molecules you want to study. What you get is the pr= operty value with a full analysis of the applicability domain.
The site is under continous extension, so all the comments are welcome.

Sincerely,

Giuseppina Gini


On Sat, 18 Feb 2012 12:56:16 -0500
=A0"Arindam Ganguly arindamganguly(~)gmail.com" <owner-chemistry^^^ccl.net> wrote:
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%
gmail.com <owner-chem= istry+*+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-ch= emistry__ccl.net> wrote:
> 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 toxi= city
> predictor built with OpenTox is available at
> http://apps.ideaconsult.net:8080/ToxPredict , and a prototyp= e 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<= br> 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://ego= nw.github.com/
LinkedIn: htt= p://se.linkedin.com/in/egonw
Blog: http:= //chem-bla-ics.blogspot.com/
PubList: http://www.citeulike.org/user/egonw/tag/papers>



--

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



-=3D This is automatically added to each message by the mailing script =3D-=
E-mail to subscribers: CHEMISTRY|a|ccl.net or use:
=A0 =A0 http://www.ccl.net/cgi-bin/ccl/send_ccl_message

E-mail to administrators: CHEMISTRY-REQUEST|a|ccl.net or use
=A0 =A0 http://www.ccl.net/cgi-bin/ccl/send_ccl_message
http://www.ccl.net/chemistry/sub_u= nsub.shtml

Before posting, check wait time at: http://www.ccl.net

Job: http://www.ccl.n= et/jobs Conferences: http://server.ccl.net/chemist= ry/announcements/conferences/

Search Messages: http://www.ccl.net/chemistry/searchccl/index.= shtml
=A0 =A0 http= ://www.ccl.net/spammers.txt

RTFI: http://www.ccl.net/chemistry/aboutccl/instructions/=





--

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


--20cf3011df23fc9fce04b96a4bfa--