Comparison and possible use of in silico tools for carcinogenicity within REACH legislation.

Seven in silico models have been used to assess the prediction accuracy of chemical compound carcinogenicity. More than 1500 compounds with experimental values have been used to evaluate the models. Here we review the application of these models for toxicity prediction and their advantages and disadvantages, discussing the different approaches underlying the models and their main critical points.

Assessment and validation of the CAESAR predictive model for bioconcentration factor (BCF) in fish.

Background: Bioconcentration factor (BCF) describes the behaviour of a chemical in terms of its likelihood of concentrating in organisms in the environment. It is a fundamental property in recent regulations, such as the European Community Regulation on chemicals and their safe use or the Globally Harmonized System for classification, labelling and packaging. These new regulations consider the possibility of reducing or waiving animal tests using alternative methods, such as in silico methods.