Known Issues

ISSUE

New structures are not registered using the WebAPI

When using the Search controller of the Toolbox WebAPI, calls to

/api/v{version}/search/smiles/{smiles}/{registerUnknown}

where {smiles} represents a structure not present in the Toolbox database and {registerUnknown} is set to true, yield a HTTP 400 result instead of HTTP 200 and the id of the newly registered chemical.

FIX

  1. Stop the Toolbox website in IIS.
  2. Download the updated ToolboxServer.dll and use it to replace the original one in the Toolbox Server bin folder (typically in C:\Program Files (x86)\QSAR Toolbox\QSAR Toolbox 4.3\Toolbox Server\Bin).
  3. Start the service in IIS.

ISSUE

On a Windows 7 or 8 OS, Toolbox Server indicates errors while starting and when the Toolbox Client is started no metabolism simulators are available.

The Server’s error log looks like this:
 
========== ErrorLog START ==========
[10:33:53] C:\Program Files (x86)\Common Files\QSAR Toolbox 4.3\Config\Profiles_Endpoints.xlsx
 
Unknown metabolism found: Observed Mammalian metabolism; Observed Microbial metabolism; Observed Rat In vivo metabolism; Observed rat liver metabolism with quantitative data; Observed Rat Liver S9 metabolism; Autoxidation simulator; Autoxidation simulator (alkaline medium); Dissociation simulator; Hydrolysis simulator (acidic); Hydrolysis simulator (basic); Hydrolysis simulator (neutral); in vivo Rat metabolism simulator; Microbial metabolism simulator; Rat liver S9 metabolism simulator; Skin metabolism simulator
 
[10:33:52] While initializing: Substance type error :Dissociation simulator not found!? Guid=efbc6766-cef9-4789-a2c6-37266f78fc46 error :Initialization failed!
 
========== ErrorLog END ==========

FIX

Download LMC.Tools.dll and use it to replace the same file in the Toolbox Server bin folder (usually C:\Program Files (x86)\QSAR Toolbox\QSAR Toolbox 4.3\Toolbox Server\Bin)

ISSUE

You have a previous deployment of PostgreSQL server but don’t know the password for it. You need to reset the PostgreSQL password

FIX

Follow the instructions in this document.

ISSUE

The Toolbox Server cannot connect to the PostgreSQL database when the server application and PostgreSQL are deployed on separate machines

The error log shows:

Npgsql.PostgresException: 28000: no pg_hba.conf entry for host "", user "qsartoolbox", database "EpiReports42".

This happens when the QSAR Toolbox Server is installed on one machine and the PostgreSQL database is deployed on a different machine. The PostgreSQL server would need to be configured to allow access to the deployed databases for the QSAR Toolbox Server Application.

FIX

  1. Go to PostgreSQL server's Data folder (default folder C:\Program Files\PostgreSQL\9.6\data) and open the pg_hba.conf file.
  2. Add a line to the bottom of the file changing <ToolboxServerHost> to the IP address or hostname of the computer than is hosting the QSAR Toolbox Server.
    host all qsartoolbox md5
  3. Restart the PostgreSQL service.
  4. Restart the QSAR Toolbox Server application/service.

ISSUE

The Toolbox Client cannot connect to the QSAR Toolbox Windows service

The error log shows:

StructureMap.Building.StructureMapBuildException: Failure while building 'Lambda: new Database(value(LMC.Toolbox.Server.StartUp.StructureMapBootstrap+<>c__DisplayClass35).connectionStringName)'.

 

FIX

  1. Go to Toolbox server's Bin folder (default folder C:\Program Files (x86)\QSAR Toolbox\QSAR Toolbox 4.2\Toolbox Server\Bin).
  2. Delete the ToolboxServerWindowsSvc.exe.config file
  3. Rename a copy of ToolboxServerApp.exe.config to ToolboxServerWindowsSvc.exe.config. Make sure you don't just rename the original file.
  4. Restart the service.

Download Installation Package

QSAR Toolbox Installer version 4.3