QSAR Toolbox Helpdesk
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Knowledge base
General
Getting Started
8
Welcome and user interface
Input
Profiling
Endpoint
Category definition
View all 8
FAQ
FAQ about TB v.4
24
How to export data from the ECHA REACH database?
Is there any Toolbox training course?
Is there a way to save structures as .smi file?
What does the option 'ignore stereo/account stereo' mean?
Calculations in Toolbox. What does it mean “Timeout” and how to increase SMILES length for 2D and 3D calculations?
View all 24
Explanations
22
What do the atomic qualifiers symbols mean?
What is the difference in the default similarity options between Toolbox 3.x and Toolbox 4.x
What is the difference between NOEL and Study NOEL?
What is the explanation of the SAR results for Skin/Eye Irritation/Corrosion?
What is the difference in colors between brown and green "Display Training Set" in the right click options of QSAR models?
View all 22
Technical issues
20
What are the system requirements for running QSAR Toolbox?
My antivirus detects a malware in Toolbox. What I have to do?
Why does the download take so long?
What is a USER folder? What is it used for?
The Toolbox Client cannot connect to the QSAR Toolbox Windows service.
View all 20
Import/Export
9
How do I export information of given profiler?
How to build a custom inventory?
There are columns with min and max values in the exported file with results. What do they mean?
Export proprietary data of Toolbox
How to export list of metabolites?
View all 9
Category definition
3
How to build categories?
How can i use inventories to form a category?
How do i start to create a new category?
Data gap filling
9
How to change the X-descriptor in Toolbox v.4.x?
Does the QSAR Toolbox offer a way to analyze uncertainties for the obtained results based on QSAR or Read-across/Trend analysis?
Can OECD Toolbox fill data gaps in batches?
How to change the X-axis descriptor when performing trend analysis with the Toolbox?
How can I remove the data for UVCBs from the data points used for QSAR prediction?
View all 9
Reports
2
How to see the data for the analogues in Appendix 2 of the Toolbox TPRF reports?
How to edit the report for a prediction?
Tips and tricks
11
How do I compare two chemicals with respect to structural similarity?
How to use the Data usage options?
How could i find analogues of my target chemical based on structural similarity?
How to access to full computable databases of experimental metabolism data?
How to use experimental results for the X-axis descriptor?
View all 11
OASIS software
TIMES
0
CATALOGIC
1
Are the new versions of CATALOGIC/TIMES docked to OECD QSAR Toolbox?
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