FAQ about TB v.4

How to export data from the ECHA REACH database?
In order to export data from the ECHA REACH database, you should first install a plugin that "unlock" the database. To do this, go to the genera...
Fri, 20 Mar, 2020 at 2:40 PM
Is there any Toolbox training course?
Yes, there are regular annual training courses on QSAR Toolbox. The training courses are organized by REACH Monitor and the International QSAR foundation an...
Mon, 9 Mar, 2020 at 3:26 PM
Is there a way to save a structure as .smi file?
Once you have a structure on your data matrix, perform right click over the leaf (1) from the document tree as shown on the Figure 1 below and then select E...
Wed, 19 Apr, 2017 at 3:30 PM
What does the option 'ignore stereo/account stereo' mean?
When creating a new document in Toolbox v.4 you can choose to ignore or account stereo (Figure 1). This functionality refers to the same 2D/2.5 D mode avail...
Wed, 19 Apr, 2017 at 3:43 PM
Calculations in Toolbox. What does it mean “Timeout” and how to increase SMILES length for 2D and 3D calculations?
General settings allow the user to modify different settings in the program. One of these is Calculation options (Figure 1) Figure 1 The option Use c...
Mon, 4 May, 2020 at 11:49 AM
Why defining of the primary group is so slow?
Slow grouping can be due to:  1) Checking of inventories (they are not pre-profiled). Inventories have only chemicals and have no data. Please uncheck them...
Sat, 6 Jul, 2019 at 10:39 AM
Why the TB profiler "Protein binding potency Cys" has different thresholds and grey zone than these in OECD TG 442C?
We have done significant modifications in the DPRA profilers available in OECD QSAR Toolbox version 4.0. The modified DPRA profilers for Cysteine and ...
Tue, 6 Jun, 2017 at 4:20 PM
How can I export data from QSAR Toolbox 4.0 to IUCLID 6?
The Toolbox 4.0 allows for export of predictions to IUCLID6. This can be done via WebServices. You need to have IUCLID6 running (either on your computer or ...
Wed, 24 May, 2017 at 10:00 AM
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