Predictive Toxicology

CMOne of the activities of the Institute for Health and Consumer Protection (IHCP) is to support the implementation of EU chemicals policy (including the safety assessment of industrial chemicals, chemicals in consumer products, pesticides and biocides) through the development, assessment and application of computational (in silico) methods. These methods, sometimes referred to as “non-testing methods”, can be used to reduce our reliance on experimental testing, and in particular animal testing.  In practice, these methods are used in Integrated Testing Strategies, along with experimental data generated by alternative (non-animal) tests, such as in vitro tests and high throughput screening (HTS) assays.

Quantitative Structure-Activity Relationship (QSAR) models can be used to obtain information on the properties and activities of substances from chemical structure alone, and can thus be used to fill data gaps in the safety assessment of chemicals.

Another method, Physiologically Based Biokinetic (PBBK) Modelling, can be used to extrapolate between in vitro and in vivo exposure conditions, thereby helping to establish the relevance of data generated by in vitro toxicity tests.

 

Further information

The following information on computational toxicology can be found on these webpages:

 

Computational tools

The following computational tools are freely downloadable or accessible from these webpages:

      • JRC QSAR Model Database, an online database which hosts structured and peer-reviewed information on QSAR Models;
      • Toxtree, a software tool which predicts mechanisms of action or toxicological effects by applying decision-tree approaches;
      • Dart, (Decision Analysis by Ranking Techniques) a powerful and user-friendly software tool designed for the ranking of chemicals according to their environmental and toxicological concern based on the most recent ranking;
      • Toxmatch, a flexible, user-friendly application for grouping chemicals on the basis of chemical similarity. It is designed to facilitate the formation of chemical categories and the application of read-across.
      • Stat4tox, a software tool which carries out concentration-response analysis for in vitro experiments.

 

Contact: JRC-IHCP-Computox@ec.europa.eu

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highlights

Regulators adopt mechanistically-based non-animal test methods to assess the potential of chemicals to cause skin allergy Regulators adopt mechanistically-based non-animal test methods to assess the potential of chemicals to cause skin allergy - Apr 26, 2016 EURL ECVAM validated methods adopted by the OECD paved the way for the revision of regulatory requirements for skin sensitisation under REACH
Young scientists from JRC's EURL ECVAM at the second SEURAT-1 Summer School Young scientists from JRC's EURL ECVAM at the second SEURAT-1 Summer School - Jul 01, 2014 Discussion of recent research activities aimed at replacing in vivo repeated-dose systemic toxicity testing
ECHA: progress in use of alternative methods by REACH registrants to generate info on chemical safety ECHA: progress in use of alternative methods by REACH registrants to generate info on chemical safety - Jun 03, 2014 Industry has increasingly used in vitro methods, built categories and predicted substance properties by read-across
New JRC tool helps to identify chemicals useful for the development and validation of alternative methods New JRC tool helps to identify chemicals useful for the development and validation of alternative methods - May 14, 2014 Chemical Lists Information System – CheLIST - officially launched: it provides a means of identifying whether a chemical (or chemical group) has been tested in a major EU or international research project and also (to a limited extent for now) whether the chemical appears on a specific regulatory inventory
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calls

Horizon 2020 Call on New approaches to improve predictive human safety testing Horizon 2020 Call on New approaches to improve predictive human safety testing The role of JRC / EURL ECVAM in cooperating with successful consortia