• Error in installing WebAPI for TB v4.5

    Followed the instructions (only ones I could find were dated 2020) to deploy the WebAPI but when I reach the last step of the process to Browse the  - I receive the following error as shown above. Running Window...
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    last modified by 439742
  • Error message when installing QSAR Toolbox 4.4 Database

    Hello,   I am trying to install QSAR 4.4 on my ThinkPad laptop. I've followed the installation manual, however at Step 3.2 when trying to authorize the Toolbox Database deployment, I receive the following error ...
    1319147
    created by 1319147
  • Error in Database Deployment Tool (Toolbox v. 4.4)

    Hello, I received the following error upon first installation of the Toolbox Database Deployment Tool.  Can someone please assist?   pg_restore: [archiver (db)] error returned by PQputCopyData: server clos...
    1308109
    created by 1308109
  • Troubleshoot while performing Category definition and Data Gap Filling with read across with unknown chemical

    As you can see in 2 attachment, very often i get these Troubleshoot while performing Category definition and Data Gap Filling with read across with unknown chemical, how to deal with these ß Thanks in advance
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    last modified by 1300895
  • Profiling a SMILES which is predefined as a polymer

    Hi,   I would like to do profiling on a SMILES string which is predefined in the toolbox as a polymer (attribute 'predefined substance type' is 'polymer'). An example to reproduce the behaviour is SMILES: CCCC...
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    last modified by 1139506
  • Web API Data Extraction

    Hello,   I am using the Toolbox WebAPI to extract data.  I have everything working correctly from the updated guidance and most calls work fine.  However, whenever there is a "/" in the endpoint tree t...
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    last modified by 637289
  • Prediction confidence range for read-across

    Dear users of the Toolbox, Dear development team,   I pasted at the end of this message a tb4 document that describes a very fast and very dirty read-across prediction for Skin sensitization (EC3) by using CAS...
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    last modified by 439685
  • Toolbox WebAPI Error

    Hello,   I am attempting to use the Toolbox WebAPI to do some GET requests for use in another Tool but I am running into some errors that maybe someone has a suggestion to solve.   Some Info: Toolbox 4.3 ...
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    last modified by 637289
  • OECD toolbox for Macbook users/ MacOs

    Hi team,   Sorry if this question is too obvious.   Is the OECD toolbox available for download and installation for Macbook or MacOs.   Thanks, Bijoy
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  • Automated Workflow Fish, LC50 at 96h for P.promelas

    Dear staff at LMC,   I had a look at the documentation for the automated workflow (AW) for the prediction of acute toxicity in fish. The selection criteria for structural analogues are well-thought and I was won...
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    last modified by 439685
  • Creating new QSAR models in TB v.4.3 with central server installation using multi-user mode

    Dear colleagues,   I just tried to create a new QSAR model in TB 4.3, (via (Q)SAR --> New in the Data Gap Filling Section), but I am told "Cannot create a (Q)SAR model when the server is run in Multi User mod...
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    last modified by 399291
  • Multiple QSARs at once

    Apologies if this is an obvious question, but is there a way to add the results of multiple QSAR models at once to the data matrix? E.g. there are 68 models for genetic toxicity within the toolbox as standard. Under d...
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  • Batch processing

    in former Toolbox versions it was possible to perform some kind of "batch" work => e.g. use more than one target structure Is this also possible with the latest toolbox version? If not, is there any possible worka...
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    last modified by 793572
  • grouping time

    Hello, I just have started using the QSAR toolbox v4.3.1, and try to run some chemicals. but since few days ago the grouping time is extremely slow and I have no idea what the problem is... I searched the related p...
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    last modified by 1134334
  • QTB 4.3: "Invalid Sesseion ID" error message on startup

    Hi,   since the installation of v. 4.3 I always get the follwoing error message at startup:     LMC.Toolbox.CS.Declarations.Exceptions.InvalidSessionException: Invalid Session Id=d4bf7728-72d5-471a-a1...
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    last modified by 399291
  • howto delete chemicals from data matrix

    hi, how can i delete chemicals from the data matrix (eg, i profiled for similarity and want to delete all chemicals from the list of analogues where CAS is invalid). rightclick on structure/delete is grey and not ac...
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    last modified by 936528
  • pseudoAW through API

    Dear friends,     I am new to the TB community, so forgive me if my questions are too simple. The freedom of the API web service for the TB is great, I was very happy to see this in the new version. Thanks ...
    1112134
    created by 1112134
  • [QSAR 4.2] Can't display substances imported from IUCLID6

    Hello,     QSAR 4.2 is now installed and I've loaded susbtances from IUCLID6 (version 6.1.3) with QSAR Toolbox Server started in SingleUser mode. Import in a custom database was successful but when I try to...
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  • Profilers,databases and category definition

    Dear all,   i am a begginer level user of a QSAR toolbox. I have some questions related to the profiling, databases and category definition. I read the tutorials and watched webinars i got more confused   ...
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    last modified by 1083645
  • Multifunctional acrylates profile (and related endpoint specific alerts) and BfR inclusion rules

    I was wondering if I can get an explanation as to why a chemical with Multifunctional acrylates profile is not detected by the skin irritation/corrosion BfR rule Esters including acrylic and methacrylic esters in the ...
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    last modified by 956039