QSAR Toolbox Helpdesk
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Knowledge base
General
Getting Started
8
Welcome and user interface
Input
Profiling
Endpoint
Category definition
See all 8 articles
FAQ
FAQ about TB v.4
21
Is there any Toolbox training course?
Is there a way to save a structure as .smi file?
What does the option 'ignore stereo/account stereo' mean?
Why defining of the primary group is so slow?
Why the TB profiler "Protein binding potency Cys" has different thresholds and grey zone than these in OECD TG 442C?
See all 21 articles
Explanations
16
What do the atomic qualifiers symbols mean?
What is the explanation of the SAR results for Skin/Eye Irritation/Corrosion?
What is the difference between NOEL and Study NOEL?
What is the meaning of the asterisk in front of a CAS number?
Is it correct to use the available experimental data for "invalid" CAS RN?
See all 16 articles
Technical issues
17
What are the system requirements for running QSAR Toolbox?
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.
How do I have to format a text file so that it can be used to store user lists of chemicals for the Toolbox?
See all 17 articles
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?
See all 9 articles
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?
See all 9 articles
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?
See all 11 articles
Tutorials
Tutorials - Toolbox v.4.2
9
Category elements for assessing category consistency
Evaluating alert performance accounting for a metabolism
Manipulation of data matrix and manual transferring of data to the target outside data gap filling module
RAAF Scenario 1 and related assessment elements
RAAF Scenario 2 and related assessment elements
See all 9 articles
Tutorials - Toolbox v.4.1
27
Example for predicting skin sensitization potential by making use of read-across
Example for predicting Ames mutagenicity by making use of read-across
Example for predicting aquatic toxicity to daphnia by using trend analysis
Step-by-step approach for evaluating category consistency and subsequent read-across
Example of how to build custom profiling scheme
See all 27 articles
Tutorials - Toolbox v.4.0
12
Automated workflow for Skin sensitization
Standardized workflow for Skin sensitization
Automated workflow for Ecotoxicity
Standardised workflow for Ecotoxicity
New options for grouping with metabolism
See all 12 articles
Tutorials - Toolbox v.3.4
23
How to predict the skin sensitisation potential approach of a chemical by read-across based on an analogue approach
How to predict acute aquatic toxicity to Daphnia for the 3-ethyl-5-methyl-3methoxyphenol by the trend analysis approach
How to predict Ames mutagenicity for a chemical by a qualitative read-across approach
How to predict acute aquatic toxicity to Tetrahymena pyriformis by trend analysis using category pruning capabilities
How to build and evaluate a category based on mechanism of action with protein and DNA binding
See all 23 articles
OASIS software
TIMES
0
CATALOGIC
1
Are the new versions of CATALOGIC/TIMES docked to OECD QSAR Toolbox?
Help Desk Software
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