REACH EU regulation was adopted to improve the protection of human health and the environment from the risks that can be posed by chemicals, while enhancing the competitiveness of the EU chemicals industry. It also promotes alternative methods for the hazard assessment of substances in order to reduce the number of tests on animals. In this context, this training intends to discuss in depth case studies using in silico tools in order to perform hazard/risk assessment fit for REACH dossiers.
After this 1 day training, the participant will have developed basic knowledges on how to build a read-across case-study as well as becoming more familiar with REACH regulatory requirements and the preparation of a REACH dossier. Moreover, the participant will become more autonomus and will be able to collect specific information from data-rich toxicological databases.
This training targets in particular:
- Risk assessors
- Safety assessors and toxicologists (chemical, cosmetics and drug industry)
8:00-9:00 – Welcome and Registration
9:00-12:00 – Practical session I on QSAR and Read-Across & OpenTox platform
12:00-13:00 – Lunch
13:00-15:00 – Practical session II on COSMOS
15:00-15:30 – Coffee break
15:30-17:30 – Practical session III on IUCLID
I. QSAR and Read Across / OpenTox
Session lead by Dr. Barry HARDY, Douglas Connect GmbH (Switzerland)
a) access/prepare/review datasets
b) carry out a read-across
c) build a QSAR
Under REACH Regulation, the non-testing data can be generated by three main approaches:
- grouping approaches, which include read-across and chemical category formation,
- quantitative structure-activity relationships (QSARs), and
- expert systems.
Read-across is one of the most commonly used alternative approaches fordata gap filling in registrations submitted under the REACH. Read-across entails the use ofrelevant information from analogous substances to predict properties for thetarget substance(s) under consideration.Read-across is based on the identification ofsimilar compounds. QSARs are theoretical models that can be used topredict in a qualitative or quantitative manner the physico-chemical, biological (e.g. toxicological)and environmental fate properties of compounds from a knowledge of their chemical structure (Refs. Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals, European Chemicals Agency, 2008).
OpenTox (www.opentox.net) is the leading global open platform for predictive toxicology supported by open standards. OpenTox is a community-led effort sharing common values in the development of interoperability, transparency and extensibility in the OpenTox framework and its applications. Douglas Connect GmbH (www.douglasconnect.com) operates an ecosystem model where developers may be sourced from the OpenTox collaboration pool for the collaborative development and provision of customised solutions, support services, and training.
Session lead by Dr. Simona KOVARICH, S-IN Soluzioni Informatiche Srl (Vicenza, Italy)
S-IN Soluzioni Informatiche
S-IN Soluzioni Informatiche is an Italian company offering a range of services in scientific informatics and specialized in Molecular Modeling, (Q)SAR Analysis, Computational Toxicology, Data Storage and Management of chemical information, Quality by Design and Multivariate Analysis. In particular the computational toxicology team offers support in complying to the regulatory directives for REACH, CLP, ICH M7 guideline, Biocides and Cosmetic regulations. We provide predictions for the (eco)toxicological and physicochemical properties generated by in silico (non-testing) methods, used in accordance with current legislation. We also offer consulting and training services on a variety of in silico methodologies (QSAR, expert systems and read-across) applied within the regulatory framework.
a) Regulatory use of in silico methods
b) Physico-chemical & (eco)toxicological predictors
Multiple legislations requiring information on chemical properties and (eco-)toxicological effects (e.g., EU REACH, CLP, Biocide and Cosmetic regulations) promote the use of in silico methods (e.g., (Q)SAR and read-across) to fill data gaps. Criteria to assess the “adequacy” of in silico predictions for a regulatory purpose were firstly defined by REACH Annex XI and include: i) scientific validity of the employed (Q)SAR model; ii) reliability of the prediction; iii) relevancy of the predicted endpoint; iv) appropriate documentation on the method and result.
In the present training, an overview and practical guide on how to perform and document in silico predictions to comply regulatory requirements will be presented.
COSMOS (www.cosmostox.eu) was a EU project developing methods for determining the safety of cosmetic ingredients for humans, without the use of animals, using computational models. COSMOS was one of seven projects forming the SEURAT-1 cluster (“Safety Evaluation Ultimately Replacing Animal Testing”). The main aim of COSMOS was to develop freely available tools and workflows to predict the safety to humans following the use of cosmetic ingredients. The models developed within COSMOS have been implemented into KNIME workflows, that are freely accessible to execute in a web browser in the COSMOS KNIME WebPortal. Within the project, a new database including safety evaluation and toxicity data on cosmetics-related ingredients (COSMOS DB) was created. COSMOS DB v2.0 will continue to be developed, maintained and made available to public through the COSMOS DataShare Point initiative, creating a public resource for toxicological data collection and a means to share data freely with the scientific community.
III. How to prepare a REACH dossier with IUCLID software
Session lead by Dr. Monica LOCATELLI, REACH mastery (Como, Italy)
a) general introduction to IUCLID
b) How to include alternative strategies
c) RAAF (Read Across Assessment Framework) and other ECHA guidelines
The general belief of REACH registrants is that regulators do not accept alternative strategies. This is not correct. Regulators accept alternative strategies provided that they are well presented and justified. It is true that working with regular tests like official OECD guidelines is easier and more straightforward: one endpoint, one guideline, one result. However, the limit of the traditional approach is more and more acknowledged and this should be the driving force to explore new possibilities. Even though more complex and challenging, preparing a dossier that contains alternative strategies leads to a better knowledge and awareness of the risks related to the use of a chemical substance. The way to present the data from a practical point of view may also represent a route for the rationalization of the problem that helps the submitter to assess the different aspects. This starts from the “simple” introduction of the record in IUCLID, through the compilation of the endpoint summary and the preparation of a full report that is usually attached into the registration dossier.
Practical exercises will aid the understanding of a topic that seems difficult just because unknown.
REACH mastery (www.reachmastery.com) is a consulting company which was born with the aim to assist customers during the whole registration process, taking care of all aspects: SIEF administration, analytical characterization, physico- chemical properties, toxicological and eco-toxicological profile and building of exposure scenarios. Both for ethical reasons and for interests in unexplored frontiers of science, REACH mastery has been always committed in avoiding new in vivo tests as much as possible. Many REACH mastery people are involved in ECHA working groups dedicated to the general support for the implementation of REACH and other EU Regulation for risk assessment.
image copyright: USAMV Cluj-Napoca
When Friday, May 20, 2016 from 8:00 AM to 5:30 PM (EEST) – Add to Calendar
Where University of Agricultural Sciences and Veterinary Medicine in Cluj-Napoca at the Institute of Life Sciences – Calea Manastur 3-5, 400685 Cluj Napoca, Romania – View Map