Physical Sciences and Mathematics Commons^™

Overview Of Data And Conceptual Approaches For Derivation Of Quantitative Structure-Activity Relationships For Ecotoxicological Effects Of Organic Chemicals, Steven P. Bradbury, Christine L. Russom, Gerald T. Ankley, T. Wayne Schultz, John D. Walker

Steven P. Bradbury

The use of quantitative structure–activity relationships (QSARs) in assessing potential toxic effects of organic chemicals on aquatic organisms continues to evolve as computational efficiency and toxicological understanding advance. With the everincreasing production of new chemicals, and the need to optimize resources to assess thousands of existing chemicals in commerce, regulatory agencies have turned to QSARs as essential tools to help prioritize tiered risk assessments when empirical data are not available to evaluate toxicological effects. Progress in designing scientifically credible QSARs is intimately associated with the development of empirically derived databases of well-defined and quantified toxicity endpoints, which are based on …