Hi Vedrin, All,
 NTUA web services are back to life after I fixed the problem this
morning. However there is some problem with the login from our side
( http://opentox.ntua.gr:8080/login ). It seems that the SSO server
takes too long to respond or something else is wrong - might be our DNS
which sometimes has problems. 

Best regards,
Pantelis

On Fri, 2012-04-27 at 12:20 +0300, Vedrin Jeliazkov wrote:
> Hi Sylvia, All,
> 
> On 27 April 2012 10:27, Micha Rautenberg <mr at mrautenberg.de> wrote:
> > I resend the misrouted mail from Sylvia, Micha
> >
> > Dear Nina, dear Christoph, dear all,
> >
> > I tried to upload a file of structures (in different formats, as indicated
> > in the legend of the tool) to Toxpredict for batch processing (initially
> > about 100 structures, then 10 for testing). Although I was logged in, it
> > did not work. Single structure input worked well.
> >
> > Di you have any advice for me, for which reasons the batch processing was
> > not possible?
> 
> I uploaded a dataset (sdf file, attached), consisting of 10 records.
> After the upload was finished, ToxPredict displayed a page with
> details on the first compound in the dataset. I then clicked "Browse
> all" (located on the left hand side of the screen) and ToxPredict
> displayed another (tabular) view of the dataset. This is the place
> from which one can launch batch processing of datasets by pressing the
> button "Run models" at the top of the screen. I proceeded with this
> step and after a while obtained the results in the same tabular view
> of the dataset (you have to select the "show predictions" option in
> order to view them). Of course, you can also download the resulting
> dataset that includes these model predictions.
> 
> We do agree that the user interface is not sufficiently intuitive and
> could be improved, but the batch-processing functionality is there and
> it is working fine.
> 
> Kind regards,
> Vedrin
> 
> PS: While performing the above tests, I've noticed that some IBMC,
> NTUA and TUM models are either returning errors (IBMC) or not
> accessible (NTUA, TUM), which has the nasty side effect of slowing
> down ToxPredict. It would be nice if those problems could be fixed,
> otherwise we might have to disable querying those models from
> ToxPredict. Here are some more details on the models affected:
> 
> -- IBMC:
> 
> EPAFM LC50 fish OpenTox model created with SCR regression model
> http://195.178.207.160/opentox/model/makeSCR_457
> http://195.178.207.160/OpenTox/algorithm/MakeMNA unknown protocol: asdasdasdhttp
> 
> -- NTUA:
> 
> MLR model for caco2
> http://opentox.ntua.gr:8080/model/059d8bf0-cccc-4ad1-ad40-d15a663894fc
> [500] Connection refused
> 
> MLR model for Exp LogKow
> http://opentox.ntua.gr:8080/model/192f9d28-cb99-4837-aad6-ba4f348adee9
> [500] Connection refused
> 
> -- TUM:
> 
> OpenTox model created with TUM's J48 model learning web service for
> Micronucleus Data.
> http://opentox-dev.informatik.tu-muenchen.de:8080/OpenTox-dev/model/TUMOpenToxModel_j48_3
> [500] Connection refused
> 
> OpenTox model created with TUM's kNNregression model learning web
> service for the Caco-2 Permeation endpoint
> http://opentox-dev.informatik.tu-muenchen.de:8080/OpenTox-dev/model/TUMOpenToxModel_kNN_10
> [500] Connection refused
> 
> OpenTox model created with TUM's kNNregression model learning web
> service for carcinogenicity
> http://opentox-dev.informatik.tu-muenchen.de:8080/OpenTox-dev/model/TUMOpenToxModel_kNN_13
> [500] Connection refused
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