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Kreatis replacing experimentation for reach - REACH alternative laboratory testing
Kreatis - an alternative to experimentation for REACH - REACH alternative experimentation


Model developer for QSARs in toxicology

ContractInternship PlaceL'Isle d'Abeau, France (approx. 20 km from Lyon) Publishing date2020-06-03 Start dateASAP

Under the REACH regulation of chemical substances (cosmetic regulation, biocides regulation, etc) (1) skin and eye irritation/corrosion of chemical substances are generally evaluated using in vivo (under justification only) or in vitro experimental methods following OECD guidelines (section 2)(2). However, these tests can be long and expensive to perform, and in most cases, it is necessary to perform a battery of tests to conclude. To help the chemical industry to limit experimentation, KREATiS offers in silico methods as an alternative to experimentation in agreement with the 3Rs principles (Replace – Reduce – Refine). The aim of KREATiS is to provide in silico models which are as accurate and reliable as good laboratory studies.

In this context, KREATiS is offering an R&D theme for an internship of 6 months.

The mission is to help to develop QSAR models which could be used to predict hazards in toxicology, such as, skin irritation/corrosion of organic compounds. These models are developed according to the five OECD principles (3). The completed models will be included within iSafeRat® (4), a software developed by KREATiS.

After getting acquainted with the subject and guideline obligations for the skin irritation/corrosion tests (OECD guidelines 404, 431, 439), the intern will: collect data on studies following the mentioned guidelines (from ECHA disseminated dossiers and other sources), validate and sort the studies according to reliability. The best quality data will then be used for QSAR model development.

At the end of the project the intern will have a good understanding of how to validate input data for in silico model development, will have learned how to set up QSARs of good quality and will have a general comprehension of alternative methods, such as, in silico techniques.
Knowledge of organic chemistry, toxicology, QSAR modelling (and REACH regulations if possible) are therefore preferred as well as rigorous analytical capabilities and a knowledge of English.

If you are interested, please send us your CV together with a cover letter. You can also directly contact us at

(1) Regulation (EC) No 1907/2006 of the European Parliament and of the Council of 18 December 2006 concerning the Registration, Evaluation, Authorisation and Restriction of Chemicals (REACH), establishing a European Chemicals Agency.
(2) OECD Guideline for testing of chemicals 404, 431, 439.
(3) OECD (2004) Principles for the validation, for regulatory purposes, of (Quantitative) Structure Activity-Relationship Models
(4) iSafeRat® – in Silico Algorithms For Environmental Risk And Toxicity (2018)


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KREATiS, Knowledge & research in environment and toxicology in silico

Knowledge & research in environment and toxicology in silico