FAQ about TB v.4

What the "the current gap filling state contains data with qualifiers" message means?
"The current gap filling state contains data with qualifiers" helper informs the user that some of the chemicals used for the prediction have data...
Tue, 23 May, 2017 at 3:28 PM
How the primary group is defined during the automated workflow?
I. AW for ecotoxicity  Selection of primary group is based on the maximal number of analogues with experimental data. The following profilers was select...
Tue, 23 May, 2017 at 3:35 PM
How to determine the applicability domain of profiling and to create a report for the profiling results without going to the DGF?
The results of the profilers in the Profiling module are NOT predictions. Therefore they have no domain. The profiling results just represent structural f...
Tue, 23 May, 2017 at 3:21 PM
Can i import a .txt file with CAS numbers only?
Version 4 allows for import of .smi and .sdf files (<Input> tab, <Chemical List> group, <List> button). However, .smi files with CAS only ...
Mon, 24 Apr, 2017 at 11:32 AM
How to define a new calculator?
In order to define a new custom calculator for experimental values please follow the step described below (Figures 1 and 2): 1. Click Options; 2. Go to Mo...
Fri, 11 Aug, 2017 at 3:26 PM
I’m trying to deploy the Toolbox database but I’m getting an error that says "No connection could be made because the target machine actively refused it"
The reason for this error is that there is no PostgreSQL service listening at the specified port. Two of the most common reasons are: 1.       The Pos...
Wed, 4 Apr, 2018 at 8:52 AM
How to run QSAR Toolbox 4.1.1 on multiple accounts on Windows Server 2012
Q: We would like to install the newest Toolbox on our latest computer:  Windows Server 2012.  We would like to have the server and client/s installed there ...
Thu, 19 Oct, 2017 at 3:01 PM
Remote connection to the server doesn’t seem to work. What should i do?
Q: I was working on creating a server for QSAR which went good, but I was testing connecting QSAR desktop connection to the server which doesn’t seem to w...
Thu, 23 Nov, 2017 at 10:48 AM
How to switch from MultiUser mode to Single user mode?
You can change the setting. Shut down the server. Make sure all clients have disconnected Go to the folder containing the server executable (e.g. C:\Prog...
Tue, 6 Mar, 2018 at 9:10 AM
I do not remember my PostgreSQL password. What i have to do?
Please follow the link below: http://toolbox.oasis-lmc.org/content/documents/ResettingPostgreSQLPassword.pdf
Tue, 10 Jul, 2018 at 4:01 PM