CADASTER Newsletter, June 2012

CADASTER - General Progress

The CADASTER project aims at exemplifying the integration of information, models and strategies for carrying out safety, hazard and risk assessments for large numbers of substances. CADASTER has been designed as a 4-year project with a cascade of activities to be performed to reach the project aims. December 2011 marked the end of the second reporting period and by February 2012 the second interim report was submitted. [Read more...]

The second CADASTER Workshop on the development and application of QSAR models with respect to the REACH guidelines is open for registration

The second CADASTER workshop will be organized in Helmholtz-Zentrum München, Neuherberg, Germany and will take place from October 7th to 9th 2012. It will provide a tutorial to all interested partners, including industry and SMEs, on how to develop new models for the assessment of REACH-end points (in particular for new scaffolds of compounds for which there are no reliable QSAR models) and how to use the software developed by the project participants. [Read more...]

A new FP7 project related to CADASTER

Recently, the HEROIC project has been initiated within the FP7 framework. “HEROIC” is the acronym of “Health and environmental risks: organisation, integration and cross-fertilisation of scientific knowledge”. The project is aimed at bridging the gap between human and environmental risk assessment and wishes to contribute to the harmonisation of tools and methods adopted in human and environmental risk assessment, thus reducing animal testing and resource use in general and facilitating better co-operation between risk assessors in both disciplines. [Read more...]

CADASTER testing of chemicals has been finalized

In the beginning of 2009 the work on the Cadaster project began with the collection of existing experimental data. Data search on all endpoints of relevance was performed for the environmental risk and hazard assessment of the groups of chemicals included in the case studies. The survey of the existing QSAR/QSPR models was performed for the four classes of chemicals selected in this project (PBDEs, PFAs, fragrances and (B)TAZs). An overview was prepared of the non-testing options given under REACH to either replace experimental testing, or to strengthen confidence in experimental results (QSARs, read-across, category approaches, and exposure based waiving). An extended database on existing experimental data and (Q)SAR models was created for the four selected group of chemicals. [Read more...]

Models development: Local models for CADASTER chemicals

In WP3 several local models for the selected classes of CADASTER chemicals have been developed, presented to various international meetings and published in ISI journals. [Read more...]

Treatment of uncertainty in QSAR-based risk assessment

Chemical legislation allows the use of QSARs to support or replace experimental testing risk assessment. Risk assessment asks for a quantification of uncertainty, which is to be understood and interpreted in relation to the background knowledge. There are solved and unsolved issues on how to treat uncertainty when going from testing to non-testing information in probabilistic risk assessment. [Read more...]

Evaluation of experimental design strategies

A crucial step in modelling and risk assessment is the reliable selection of a representative subset of chemical compounds. Within its contribution to WP3 and WP4 and in collaboration with LNU, the HMGU recently published two studies comparing several commonly used approaches for experimental design in QSAR modeling with newly developed ones evaluating their efficiency and reliability. The first study introduces an adaptive, stepwise approach, that combines the D-Optimal selection criterion for linear models with partial least squares techniques, the second study focuses on the usage of the k-Medoid clustering for experimental design in chemoinformatics. Both approaches have been shown to significantly improve the performance of resulting models. This is of basic interest both in terms of efficiency and to save time and costs. [Read more...]

Results of the first CADASTER Workshop on the use of QSAR models in REACH

The first CADASTER workshop was organized by the Public Health Institute Maribor (PHI) in Maribor, Slovenia, as a part of the CMPTI conference from September 1st to 2nd 2011. The workshop aimed to assist the risk assessors and national chemicals authorities, in particular from Eastern European countries, with the use of the QSAR tools for the environmental risks assessments in REACH. [Read more...]

SETAC Europe 2012

The 6th SETAC World Congress (22th SETAC Europe Annual Meeting) was organized in Berlin, 20-24 May 2012. The theme of this year’s conference was “Securing a sustainable future: Integrating Science, Policy and People”. The WP3 Partner UI participated at the meeting presenting the most recent results obtained within WP3, focusing the attention on the QSAR models developed for (B)TAZs toxicity and the prioritization of CADASTER chemicals. [Read more...]

Meet CADASTER - Planned conferences

  • 15th International Workshop on Quantitative Structure-Activity Relationships in Environmental and Health Sciences

    18-22 June 2012, Tallinn, Estonia
  • Gordon Research Conference – Green Chemistry

    22-27 July 2012, Lucca, Italy
  • 19th EuroQSAR: Knowledge Enabled Ligand Design

    26-30 August 2012, Vienna, Austria
  • XIII Congresso Nazionale di Chimica dell’Ambiente e dei Beni Culturali (Italian Chemical Society)

    10-14 September 2012, Taranto, Italy
  • 33rd Annual Meeting SETAC North America

    10-15 November 2012, Long Beach, California, USA
[Read more...]