[OTDev] Batch processing with ToxPredict | Fwd: Uncaught bounce notification
Pantelis Sopasakis chvng at mail.ntua.grFri Apr 27 14:33:07 CEST 2012
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Hello Vedrin, all, There is some problem with our web services. It was running fine until recently when it couldn't start. I will try to fix the problem in the weekend. Maybe it is better to remove our models from the list and I will add them to the ontology server next week. So, for the time being our services are down. Best regards, Pantelis On Apr 27, 2012, at 11:20 AM, 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 > <test.sdf>_______________________________________________ > Development mailing list > Development at opentox.org > http://www.opentox.org/mailman/listinfo/development
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