REACH

VEGA

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Vega logoUsing the VEGA platform, you can access a series of QSAR (quantitative structure-activity relationship) models for regulatory purposes, or develop your own model for research purposes.

The QSAR models available for regulatory purposes have been optimised in accordance with the REACH requirements.

Video Documentary: QSARs in REACH? - Uses, issues and priorities

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The documentary 'QSARs in REACH?' is based on interviews with regulators, industry and QSAR developers, and addresses some of the key issues and priorities in the further use of QSARs within REACH. 

The documentary was first shown at the ORCHESTRA booth at the 2011 SETAC Europe conference in Milan.   Here it can be viewed online in 4 short separate sections.  The 20+ contributors are listed below and at the end of the final section, with our thanks to them.

 

QSAR presentations at SETAC Europe 2011 - full videos

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The five ORCHESTRA platform presentations at the SETAC Europe 2011 conference in Milan can now be viewed in full below.  The presentations address key aspects of QSAR models and their regulatory use. 
Videos include:  PowerPoint slides + speaker + event images + Q&A session.
 

How to improve the safe use, explanation and acceptance of QSAR models for REACH?
Emilio Benfenati   (18 mins)

Usage of in-silico

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7 reasons to use in-silico methods

1. Cost and feasibility

The REACH legislation requires industry to evaluate the toxicity not just of new chemicals, but also of the tens of thousands of existing chemical substances that are currently in use but have never been subject to regulatory testing.  Many argue that to achieve this by traditional in vivo testing would take decades, cost billions and consume many millions of vertebrates.  In addition to the time and costs for industry, there is a lack of laboratories in Europe capable of performing in vivo tests for such large numbers of substances.

Online Course: QSAR methods for REACH

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The ORCHESTRA online course is organized in four sections, each one consisting of a series of slides and additional comments. Please click on each banner to visit the corresponding section.

 

 

 

course section 1

Are QSAR models expensive, or free to use?

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The CAESAR and VEGA platforms have been produced from EC-funded research, and are therefore freely available for use.  The software can be downloaded. Furthermore, predicted values for more than four million chemicals will be made freely available.

Is there an independent review of QSAR models?

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ECHA does not intend to produce a list of ‘approved’ models, because the value of a model depends on how it is used.  (See FAQ: ‘What makes a good QSAR model?’)  Every user of QSARs needs to be aware that QSAR models are only appropriate and reliable for specific sets of chemicals.  A highly reliable model will not produce reliable results for chemicals that lie outside the domain of applicability.  In addition, models may be suitable for different regulatory functions: risk assessment, classification and labelling or prioritisation, because each makes different demands on the model.  

What makes a good QSAR model?

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According to REACH regulation (Annex XI) an assessment using a QSAR model is valid if:

Are QSAR models available for all endpoints?

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QSAR models are available and in use for some endpoints, while being limited for others (e.g. long term mammalian toxicity).  There are several reasons, including:

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