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Article
Model-based QSAR for ionizable compounds: toxicity of phenols against Tetrahymena pyriformis
Archives of environmental contamination and toxicology (1996)
  • K Pirselová
  • S Baláz
  • Terry W Schultz, University of Tennessee - Knoxville
Abstract

The previously described pseudo-equilibrium model for kinetics of distribution of extraneous chemicals in biological systems has been used for the development of the QSAR equation expressing toxicity of phenols against Tetrahymena pyriformis as a non-linear function of their hydrophobicity and acidity. The model assumes binding of all the tested compounds to a single class of the receptors (i.e., it does not discriminate between possible narcotic and respiratory uncoupling modes of action of phenols) with the association constant related to the electronic structure of the molecules rather than to their hydrophobicity. Non-linear regression analysis revealed satisfying agreement between the model and published biological data measured after a single dose.

Publication Date
February, 1996
Citation Information
K Pirselová, S Baláz and Terry W Schultz. "Model-based QSAR for ionizable compounds: toxicity of phenols against Tetrahymena pyriformis" Archives of environmental contamination and toxicology Vol. 30 Iss. 2 (1996)
Available at: http://works.bepress.com/terry_schultz/100/