QSAR_Start Up _icon _yellow   Installation Manuals

 

 

Toolbox 3.4 Standalone Installation 

                        

pdf   

Toolbox 3.4 Client-Server Installation                    

 

pdf

Toolbox 3.4 Client-Server configuration manual                

 

pdf

Toolbox 3.4 Database Migration Tool

 

pdf

Toolbox 3.4 Release Notes Standalone  

 

pdf

What's new in TB 3.4

 

pdf

Firebird RDBMS Installation

 

pdf

 

 

 


QSAR_Start Up _icon _yellow   User Manuals

 

Getting Started

                        

pdf   

Getting Started Quick Reference 

 

pdf

Grouping Chemicals 

 

pdf

Grouping Chemicals For Acute Aquatic Toxicity

(July 2013)                

 

pdf

Grouping Chemicals For Genotoxic Carcinogenicity

(July 2013)     

 

pdf

IUCLID 5 Import Export via WebServices  

 

pdf

Guidance on importing databases into Toolbox

 

pdf

Guidance on exporting data from Toolbox

 

pdf
 

Explanation of SAR results for Skin and Eye Irritation       

Corrosion        

 

pdf
 

Tips and Tricks

 

pdf
 

 

   

 

QSAR_Start Up _icon _yellow   Tutorials 

 

 

Step-by-step example on how to predict the skin sensitisation

potential approach of a chemical by read-across based on an

analogue approach (for beginners)

                            
pdf    video 

Step by step example how to predict acute aquatic toxicity to Daphnia       

for the 3-ethyl-5-methyl-3-methoxyphenol by

the trend analysis approach (for beginners)

 

pdf    

Step-by-step example of how to predict Ames mutagenicity

for a chemical by a qualitative read-across approach

(for beginners)

 

pdf    

Step-by-step example of how to predict acute toxicity to  

Tetrahymena pyriformis by trend analysis using category

pruning capabilities (July 2016)

 

pdf   video 

Step-by-step example of how to build and evaluate a category

based on mechanism of action with protein and DNA binding

(July 2016)

 

pdf       video 

Step-by-step example of how to build a category for

more than one target chemicals and predict acute toxicity to fish

(July 2016)

 

pdf      

Step-by-step example of how to evaluate an ad-hoc category

of aliphatic amines and to predict an ecotoxicological endpoint

(July 2016)

 

pdf    

Step-by-step example of how to build a user-defined profiling

scheme (July 2016)

 

pdf   video 

Step-by-step example of how to categorize an inventory by

mechanistic behaviour of the chemicals which it consists

(July 2016)

 

pdf    

Step-by-step example of how to build a user-defined QSAR

(July 2016)

 

pdf  

video 

 

Example for predicting skin sensitisation potential of

(2E,6Z)-2,6-nonadien-1-ol accounting for skin metabolism

(July 2016)

 

pdf  

Example for predicting acute aquatic toxicity to fish of

mixture with known components (July 2016)

 

pdf  

Example for predicting skin sensitization of mixture with

known components (July 2016)

 

pdf  

Example for predicting acute aquatic toxicity to fish of

4-methyl-2-nitroaniline taking into account tautomerism 

(July 2016)

 

pdf  

Example for predicting skin sensitization potential of

3,4-dinitrophenol taking into account tautomerism

(July 2016)

 

pdf  

Example for predicting repeated dose toxicity of

2,3-dimethylaniline (July 2016)

 

pdf  

Example for how to use the Toolbox AOP workflow for

Skin Sensitization (July 2016)

 

pdf  

Example illustrating functionalities of Query Tool

(July 2016)

 

pdf

 

Example for predicting skin sensitisation potential of a

chemical using skin sensitization data extracted

from ECHA CHEM database (July 2016)

 

pdf

 

Example for predicting acute aquatic toxicity

to fish of Dodecanenitrile (CAS 2437-25-4) taking into

account tautomerism (July 2016)

 

pdf

 

 

 

Example for types of endpoint vs. endpoint

correlations using ToxCast and other endpoint data

 

pdf

 

Example for predicting the carcinogenicity potential of
1-(2-hydroxyethyl)-1-nitrosourea (CAS 13743-07-2)
by filtering with Ames experimental data

 

pdf

 

Example for predicting skin sensitisation potential of

eugenol (97-53-0) using a new categorization tool

taking into account its abiotic activation

 

pdf  

Example for predicting developmental and

reproductive toxicity of Diuron (CAS 330-54-1)

based on DART categorization tool and DART SAR model

pdf  

 

Tutorials are consistent with QSAR Toolbox 3.4

 

Manuals

Download

 

Zip archive of all installation manuals

 

Zip archive of all user manuals

 

Zip archive of all tutorials