Toxicology

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.

Policy issues around computer-based methods as alternatives to animal testing

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Questionnaire imageThe short questionnaire is our invitation to policy makers, industry managers, educators, political leaders, NGOs, investors, citizens and all others who are not specialists in toxicology to comment on some of the issues that are raised and/or addressed by computer-based (in silico) methods.

We really hope you can take a few minutes to complete it.  Please also email the link to others who may be interested.

 

 

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.

Why do toxicology researchers need to know about in silico methods?

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Unlike industry working within a regulatory context, toxicology and ecotoxicology researchers have the freedom to select and/or develop QSAR models specifically for their scientific use, and do not need to meet the regulatory demands for transparency.  

In silico methods, and specifically QSAR models, can be used in a range of ways within research.  QSAR models provide statistical evidence of patterns of toxicity across a series of chemicals, and so, for example, can provide an agenda for empirical research into the mechanisms of action by which particular molecular properties generate those observed biological and environmental effects.  

Workshop outcomes: REACH and QSAR: What can we learn from case studies?

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Workshop: REACH and QSAR: What can we learn from case studies?

Mario Negri Institute – Milano (Italy) April 6th 2011

 

Download the Summary Report (PDF)

 

Please respond to one of our surveys

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The use of "in silico methods"

Questionnaire image

1. Technical survey for those involved in toxicology

Complete it online  /  Read more..

2. Non-technical survey for citizens, policy makers, industry managers, educators, political leaders, NGOs, investors and others

About ORCHESTRA

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ORCHESTRA is an EU project, funded to disseminate recent research on computer-based in silico methods for evaluating the toxicity of chemicals.

•• In silico methods make it possible to test large numbers of chemicals (as required by EU REACH legislation) while reducing the numbers of tests on animals.

The aim of the project is therefore to promote wider understanding, awareness and appropriate use of in silico methods.

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