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J Dent Res 51(2): 526-535, 1972
© 1972 International and American Associations for Dental Research
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Use of Mathematical Models in the Study of Structure-Toxicity Relationships of Dental Compounds: I. Esters of Acrylic and Methacrylic Acids

W. H. LAWRENCE 1, G. E. BASS 1, W. P. PURCELL 1, and J. AUTIAN 1

1 Materials Science Toxicology Laboratories and the Department of Molecular and Quantum Biology, College of Dentistry and College of Pharmacy, University of Tennessee Medical Units, Memphis, Tennessee 38103, USA

The toxicity of a series of esters of acrylic and methacrylic acids was determined in groups of mice, and the resultant LD50 values were analyzed with the use of the mathematical models of Free and Wilson and of Hansch to relate structure of the compounds to toxicity. Both models proved valuable in relating structures to toxicity parameters, but the more useful method for predicting toxicity was the Hansch model.

Submitted on January 27, 1971






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