PMID: 20650126Aug 1, 1995Paper

Practical applications of QSAR to in vitro toxicology illustrated by consideration of eye irritation

Toxicology in Vitro : an International Journal Published in Association with BIBRA
M Chamberlain, M D Barratt

Abstract

Mechanistically based quantitative structure-activity relationships (QSARs) have been developed for some well defined toxic endpoints. Principal components analysis has proved to be a useful technique in visualizing the QSARs and allows ready construction of hypotheses to test. The preferred way of testing the hypotheses is to use in vitro methods: thus integrating the use of QSAR and in vitro methods. Principal components analysis affords a basis for more rational selection of test chemicals to examine the utility of an in vitro method and more specifically the selection of test chemicals to be used in the validation of an in vitro method. This is particularly important in the absence of a large number of chemicals which have been tested in animals. In addition, elucidation of the putative mechanism of action of chemicals allows re-evaluation of the appropriateness of an in vitro method for the precise detection of the toxicity of specific classes of substances and more rational design of in vitro methods with improved powers of prediction.

References

Apr 1, 1989·Food and Chemical Toxicology : an International Journal Published for the British Industrial Biological Research Association·G A Jacobs, M A Martens
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Dec 1, 1982·International Journal of Cosmetic Science·M YorkG B Gibson
Feb 1, 1995·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M D Barratt
Feb 1, 1994·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M T CroninM York
Feb 1, 1994·Toxicology in Vitro : an International Journal Published in Association with BIBRA·R W LewisP A Botham
Aug 1, 1994·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M D BarrattD W Roberts
Aug 1, 1994·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M D Barratt
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Citations

Jul 26, 2006·Bulletin of Mathematical Biology·Maykel Cruz-MonteagudoYenny González-Díaz
Dec 1, 1995·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M BallsH Spielmann
Aug 1, 1996·Toxicology in Vitro : an International Journal Published in Association with BIBRA·L H BrunerR D Curren
Jun 1, 1998·Toxicology in Vitro : an International Journal Published in Association with BIBRA·M H AbrahamW S Cain
Mar 29, 2016·Regulatory Toxicology and Pharmacology : RTP·Nikita BasantKunwar P Singh
May 26, 1998·Environmental Health Perspectives·M D Barratt
Sep 29, 2011·Botanical Journal of the Linnean Society·Begoña Aguirre-HudsonBrian M Spooner

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