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Checking the applications of (Q)SAR approaches in the framework of the REACH regulation

Abstract : The ethical and economic consequences that would be incurred in the event of a systematic and experimental (eco)toxicological assessment of chemicals motivate the application of (Q)SAR models and related approaches (chemical categories, read-across predictions) within regulatory frameworks. Notwithstanding the research in the field of QSAR modelling and the subsequent implementation of freely available (Q)SAR tools, there are still gaps of knowledge about the relevant features that these models should present in order to ensure their adequate regulatory use. In particular, there is a lack of knowledge about how well (Q)SAR approaches and tools perform when applied to a large number of chemicals that fall within the remit of regulations on chemicals and, more specifically, within the remit of the European REACH regulation. In this context, the CALEIDOS project (Chemical Assessment according to Legislation Enhancing the In silico DOcumentation and Safe use) aims at improving the standardisation of the application of (Q)SAR approaches by providing practical information and tools to end users. This objective is becoming a reality thanks to the establishment of a network of interrelated stakeholders (industry, agencies and scientists), the implementation of a dedicated web tool and the evaluation of the predictive performance of (Q)SAR models when applied to chemicals registered under the REACH regulation. The main focus of this talk is to offer a synopsis of the activities that are currently underway within the project and to highlight major inputs from stakeholders. This will be achieved by giving special attention to the evaluation of the predictive performance of (Q)SAR models for Ames genotoxicity, acute fish toxicity, BCF and Log P when applied to REACH chemicals.
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Submitted on : Wednesday, August 8, 2018 - 11:13:01 AM
Last modification on : Wednesday, August 8, 2018 - 11:13:02 AM


  • HAL Id : ineris-01855534, version 1



Enrico Mombelli, Antonio Cassano, G. Raitano, A. Roncaglioni, E. Benfenati. Checking the applications of (Q)SAR approaches in the framework of the REACH regulation. 16. International Workshop on Quantitative Structure-Activity Relationship in Environmental and Health Sciences (QSAR 2014), Jun 2014, Milan, Italy. pp.58. ⟨ineris-01855534⟩



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