Use of Mathematical Models in the Study of Structure-Toxicity Relationships of Dental Compounds: I. Esters of Acrylic and Methacrylic Acids-Reference-Cited by-同舟云学术

Use of Mathematical Models in the Study of Structure-Toxicity Relationships of Dental Compounds: I. Esters of Acrylic and Methacrylic Acids

Published:1972-03 Issue:2 Volume:51 Page:526-535
ISSN:0022-0345
Container-title:Journal of Dental Research
language:en
Short-container-title:J Dent Res

Author:

Lawrence W.H.¹,Bass G.E.¹,Purcell W.P.¹,Autian J.¹

Affiliation:

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

Abstract

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.

Publisher

SAGE Publications

Subject

General Dentistry

Link

http://journals.sagepub.com/doi/pdf/10.1177/00220345720510024701

Reference15 articles.

1. A Mathematical Contribution to Structure-Activity Studies

2. p-σ-π Analysis. A Method for the Correlation of Biological Activity and Chemical Structure

3. The Effect of Structure upon the Reactions of Organic Compounds. Benzene Derivatives

4. Linear Free Energy Relationships from Rates of Esterification and Hydrolysis of Aliphatic and Ortho-substituted Benzoate Esters

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