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Draize Rabbit Eye Test Compatibility with Eye Irritation Thresholds in Humans: A Quantitative Structure-Activity Relationship Analysis

Abraham, Michael H., Hassanisadi, Mostafa, Jalali-Heravi, Mehdi, Ghafourian, Taravat, Cain, William.S., Cometto-Mun˜iz, J.Enrique (2003) Draize Rabbit Eye Test Compatibility with Eye Irritation Thresholds in Humans: A Quantitative Structure-Activity Relationship Analysis. Toxicological Sciences, 76 (2). pp. 384-391. ISSN 1096-6080. (doi:10.1093/toxsci/kfg242) (The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided) (KAR id:10753)

The full text of this publication is not currently available from this repository. You may be able to access a copy if URLs are provided.
Official URL:
http://dx.doi.org/10.1093/toxsci/kfg242

Abstract

Draize rabbit eye test scores, as modified maximum average

score (MMAS), for 68 pure bulk liquids were adjusted by the

liquid-saturated vapor pressure P°. These 68 adjusted scores, as

log (MMAS/P°), were shown to be completely equivalent to eye

irritation thresholds (EIT), expressed as log (1/EIT), for 23 compounds

in humans. Thus, for the first time the Draize eye test in

rabbits for pure bulk liquids is shown to be perfectly compatible

with eye irritation thresholds in humans. The total data set for 91

compounds was analyzed by the general solvation equation of

Abraham. Values of log (MMAS/P°) or log (1/EIT) could be fitted

to a five-parameter equation with R2 0.936, SD 0.433, AD

0.000, and AAD 0.340 over a range of 9.6 log units. When

divided into a training set of 45 compounds, the corresponding

equation could be used to predict the remaining 46 compounds in

a test set with AD –0.037 and AAD 0.345 log units. Thus, the

91-compound equation can now be used to predict further EIT

values to around 0.4 log units. It is suggested that the mechanism

of action in the Draize test and in the human EIT involves passive

transfer of the compound to a biophase that is quite polar, is a

strong hydrogen bond base, a moderate hydrogen bond acid, and

quite hydrophobic. The biophase does not resemble water or

plasma, but resembles an organic solvent such as N-methylformamide.

Item Type: Article
DOI/Identification number: 10.1093/toxsci/kfg242
Subjects: Q Science
Q Science > QD Chemistry
Divisions: Divisions > Division of Natural Sciences > Medway School of Pharmacy
Depositing User: Taravat Ghafourian
Date Deposited: 20 Oct 2008 13:28 UTC
Last Modified: 16 Nov 2021 09:49 UTC
Resource URI: https://kar.kent.ac.uk/id/eprint/10753 (The current URI for this page, for reference purposes)

University of Kent Author Information

Ghafourian, Taravat.

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