Dear Vedrin,

Sorry for error. I was changing web platform of our server during last time.
But now I fixed problem and it works. 

Best regards

Dmitry S. Druzhilovsky

Laboratory of Structure-Function Based Drug Design 119121, Russia, 
Moscow, Pogodinskaya street, 10
Phone: +7 499 255-30-29
Fax: +7 499 245-08-57

> -----Original Message-----
> From: development-bounces at opentox.org [mailto:development-
> bounces at opentox.org] On Behalf Of Vedrin Jeliazkov
> Sent: Friday, April 27, 2012 1:21 PM
> To: opentox development mailing list
> Subject: Re: [OTDev] Batch processing with ToxPredict | Fwd: Uncaught
> bounce notification
> 
> 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