STP1179

    Validation and Upgrade of a QSAR Study of the Toxicity of Amines to Freshwater Fish

    Published: Jan 1993


      Format Pages Price  
    PDF Version (200K) 14 $25   ADD TO CART
    Complete Source PDF (8.0M) 14 $101   ADD TO CART


    Abstract

    Further development of a quantitative structure-activity relationship (QSAR) relies on a broader variety of chemical structures without loss of statistical robustness. Newsome et al.1 (1990) showed that a QSAR can be applied to a discrete class of amines to predict fish acute toxicity: log 1/LC50 = 0.70 log P −0.85 EQ. 1 (n = 41;r2= 0.84; s = 0.56)

    A reevaluation of the amine class was performed to include more compounds and species. This study includes data for a variety of freshwater fish species and 20 acyclic and cyclic, mono- and diamines. The study extends the QSAR for predicting fish acute toxicity to a broader set of amine structures: log 1/LC50 = 0.673 log P -−0.81 EQ. 2 (n = 61;r2 = 0.86; s = 0.53)

    The limitations of this QSAR as well as any outliers were examined.

    Keywords:

    aquatic toxicity, amines, quantitative structure-activity relationships, acute toxicity, freshwater fish


    Author Information:

    Newsome, LD
    Biologist, Chemist, and Ecologist, Environmental Effects Branch, Health and Environmental Review Division, Office of Toxic Substances, United States Environmental Protection Agency, Washington, DC

    Johnson, DE
    Biologist, Chemist, and Ecologist, Environmental Effects Branch, Health and Environmental Review Division, Office of Toxic Substances, United States Environmental Protection Agency, Washington, DC

    Nabholz, JV
    Biologist, Chemist, and Ecologist, Environmental Effects Branch, Health and Environmental Review Division, Office of Toxic Substances, United States Environmental Protection Agency, Washington, DC


    Paper ID: STP19256S

    Committee/Subcommittee: E47.10

    DOI: 10.1520/STP19256S


    CrossRef ASTM International is a member of CrossRef.