Work Package 4

Integration of QSARs within hazard and risk assessment


Thomas Öberg

Tomas Öberg Linnaeus University
Willie Peijnenburg Rijksinstituut voor Volksgezondheid en Milieu
Andreas Woldegiorgis Swedish Environmental Research Institute
Paola Gramatica University of Insubria
Igor Tetko Helmholtz Zentrum München
Mark Huijbregts Radboud University Nijmegen
Nina Jeliazkova Ideaconsult Ltd.
Mike Comber Mike Comber Consulting
Sub-activities within this objective include

1) Integration of QSAR models into a probabilistic risk assessment framework. This activity includes characterization of variability and uncertainty of QSARs identified in WP2 and developed in WP3, sensitivity analyses of individual models with regard to their contributions in the overall risk assessment framework, and QSAR modelling of variability, e.g. with regard to their application in species sensitivity distributions (SSDs). A main aspect is the link with the 1st and 3rd sub-activity of objective 2: Validation to determine the predictive ability of the models.

2) Evaluation of the ECETOC TRA screening risk assessment tool to establish the ability of the tool for identifying chemicals of concern, at varying levels of data/information. This will be a potentially powerful approach for smaller companies without the skills or expertise often available to large companies and if the tool is suitable, will quickly help such companies identify whether they have a need for further higher tiered assessments.

3) Evaluation of methods and decision points for the establishment of scientific validity and applicability domains for QSAR models: Evaluation of the way QSAR models can meet the legal requirements of current and upcoming chemicals legislation, as a matter of course including the assessment of the legal requirements.

4) Exploring the possibilities for economic valuation of substitution of chemicals from within chemical classes, using information on the economic valuation of impacts by priority air pollutants as a starting point. Thus, fulfilling the aim of REACH of achieving a proper balance between societal, economic and environmental objectives.

5) Policy and management: provision of recommendations on a viable management strategy for optimized testing and in-silico modelling of hazardous organic substances, merging research findings from CADASTER with other ongoing research and regulatory developments. Synthesis of research findings is often made qualitatively, but here we propose to drive the analysis and fusion of results one step further to a quantitative assessment in co-operation with the other work-packages.