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    Research Needs in Developing Structure Activity Relationships

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    A short historic overview of the development of quantitative structure activity relationships (QSARs) is presented. Applications of QSARs to problems in environmental toxicology and hazard assessment are reviewed. A number of research needs related to QSAR are identified including: (1) research to quantify the effects of metabolism on a bioconcentration QSAR model, (2) research to determine the upper boundaries of linearity for the bioconcentration QSAR for hydrophobic chemicals, (3) research to refine the understanding of the predictive limitations of the QSAR for acute toxicity of simple nonelectrolytes to aquatic organisms, (4) research to identify additional classes of non-electrolytes that exhibit increased toxicity caused by more specific mechanisms of binding to biological receptors, and (5) research involving investigations of fundamental mechanisms of toxicity.


    aquatic biology, toxicology, research, quantitative structure activity relationships, QSAR, research needs, aquatic toxicology, aquatic hazard assessment

    Author Information:

    Lipnick, RL
    Leader of Structure Activity Group, Environmental Effects Branch, Health and Environmental Review Division, Office of Toxic Substances, U.S. Environmental Protection Agency, Washington, DC,

    Committee/Subcommittee: E47.01

    DOI: 10.1520/STP33567S