Development of an in silico profiler for respiratory sensitisation.
作者： Steven J. Enoch , David W. Roberts , Judith C. Madden , Mark T.D. Cronin
DOI: 10.1177/026119291404200606
关键词: In silico 、 Biotechnology 、 Computational biology 、 Biology
摘要: In this article, we outline work that led the QSAR and Molecular Modelling Group at Liverpool John Moores University to be jointly awarded 2013 Lush Science Prize. Our research focuses around development of in silico profilers for category formation within Adverse Outcome Pathway paradigm. The a well-defined chemical allows toxicity predicted via read-across. This is central approach used by OECD Toolbox. specific which were Prize was such an profiler respiratory sensitisation. developed analysis mechanistic chemistry associated with covalent bond lung. data analysed collated from clinical reports occupational asthma humans. impact on Three Rs also discussed.
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