Comparative Assessment of QSAR Models for Aquatic Toxicity

Abstract

The purpose of the analyses presented in this report was to contribute to an evaluation of the possibility of using QSAR predictions for regulatory purposes. To this end QSAR predictions were compared with SIDS test data. Six literature based models were selected to make predictions for the SIDS data. The models were assessed according to the extent to which they meet OECD principles for QSAR validation and they were compared with respect to their perdictivity on SIDS data. The comparisons are not intended to be scientific validations, but many of the analyses presented form the basis for scientific validation