Project name

Chemical Assessment according to Legislation Enhancing the In silico Documentation and Safe use

Contract number

LIFE 11 ENV/IT/295

Main Objectives

  • to provide practical information to the users of non-testing methods (QSAR, read across and grouping), based on exercises done on the registered chemicals;
  • to organise a statistically sound evaluation of the results in prediction of 23 quantitative structure-activity relationship (QSAR) methods, applying them to predict the properties of the chemicals registered to ECHA, and comparing the predicted values with the experimental ones in the registration data, for 6 properties: logP, bioconcentration factor, fish acute toxicity, mutagenicity (Ames test), carcinogenicity and reprotoxicity;
  • to evaluate if read across and grouping methods can improve the predictions, comparing the results from these non-testing methods with those obtained with QSAR for a set of selected chemicals;
  • to evaluate the reproducibility of the prediction using read across, organising an exercise with tens of experts;
  • to make freely available a web tool for the prediction of six chemical properties (logP, bioconcentration factor, fish acute toxicity, mutagenicity (Ames test), carcinogenicity, reprotoxicity);
  • to establish a network of tens of experts from regulatory bodies, industry and scientists, aiming to integrate the scientific and policy aspects;
  • to improve standardisation on the use of non-testing methods.