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Development of an In Silico Profiler for Respiratory Sensitisation

Enoch, SJ, Roberts, DW, Madden, JC and Cronin, MTD (2014) Development of an In Silico Profiler for Respiratory Sensitisation. Alternatives to the Laboratory Animals, 42 (6). pp. 367-375. ISSN 0261-1929

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In this article, we outline work that led the QSAR and Molecular Modelling Group at Liverpool John Moores University to be jointly awarded the 2013 Lush Science Prize. Our research focuses around the development of in silico profilers for category formation within the Adverse Outcome Pathway paradigm. The development of a well-defined chemical category allows toxicity to be predicted via read-across. This is the central approach used by the OECD QSAR Toolbox. The specific work for which we were awarded the Lush Prize was for the development of such an in silico profiler for respiratory sensitisation. The profiler was developed by an analysis of the mechanistic chemistry associated with covalent bond formation in the lung. The data analysed were collated from clinical reports of occupational asthma in humans. The impact of the development of in silico profilers on the Three Rs is also discussed.

Item Type: Article
Uncontrolled Keywords: 0707 Veterinary Sciences
Subjects: Q Science > QL Zoology
R Medicine > RS Pharmacy and materia medica
Divisions: Pharmacy & Biomolecular Sciences
Publisher: Sage
Related URLs:
Date Deposited: 08 Jun 2015 07:34
Last Modified: 04 Sep 2021 14:18
DOI or ID number: 10.1177/026119291404200606
URI: https://researchonline.ljmu.ac.uk/id/eprint/1362
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