Document Detail


Development of Mechanism-based Structural Alerts for Respiratory Sensitisation Hazard Identification.
MedLine Citation:
PMID:  23057518     Owner:  NLM     Status:  Publisher    
Abstract/OtherAbstract:
This study outlines how mechanistic organic chemistry related to covalent bond formation can be used to rationalise the ability of low molecular weight chemicals to cause respiratory sensitisation. The results of an analysis of 104 chemicals which have been reported to cause respiratory sensitisation in humans showed that most of the sensitising chemicals could be distinguished from 82 control chemicals for which no clinical reports of respiratory sensitisation exist. This study resulted in the development of a set of mechanism-based structural alerts for chemicals with the potential to cause respiratory sensitisation. Their potential for use in a predictive algorithm for this purpose alongside an externally validated quantitative structure-activity relationship model is discussed.
Authors:
Steven Enoch; Martin Seed; David W Roberts; Mark Cronin; Jill Stocks; Raymond Agius
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Publication Detail:
Type:  JOURNAL ARTICLE     Date:  2012-10-11
Journal Detail:
Title:  Chemical research in toxicology     Volume:  -     ISSN:  1520-5010     ISO Abbreviation:  Chem. Res. Toxicol.     Publication Date:  2012 Oct 
Date Detail:
Created Date:  2012-10-12     Completed Date:  -     Revised Date:  -    
Medline Journal Info:
Nlm Unique ID:  8807448     Medline TA:  Chem Res Toxicol     Country:  -    
Other Details:
Languages:  ENG     Pagination:  -     Citation Subset:  -    
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