• OPERA, KATE and VEGA addin

    Hello, OPERA, KATE and VEGA Addin don't appear in the available addin via the ToolBox repository client. Therefore I tried to download the Addin and to install it from file (load from file option).   The OPER...
    created by 1215702
  • 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...
    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 ...
    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...
    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
    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...
    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...
    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...
    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 ...
    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
    last modified by 842180
  • 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...
    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...
    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...
    last modified by 697392
  • 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...
    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...
    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...
    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...
    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 ...
    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...
    last modified by 808799
  • 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   ...
    last modified by 1083645