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To add or not to add: that is the question for your reference spectra prediction databases

Tony Davies,a Wolfgang Robienb and Jeff Seymourc

aExternal Professor, University of Glamorgan, UK, Director, ALIS Ltd, Analytical Laboratory Informatics Solutions
bInstitute for Organic Chemistry, University of Vienna, Austria
cModgraph Consultants, 1 Oakland View, Welwyn AL6 0RJ, UK

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