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C.","year":"2006","journal-title":"J. Biomed. Inform."},{"key":"ref28\/cit28","first-page":"1","volume-title":"Ontology Development 101: A Guide to Creating Your First Ontology","volume":"2001","author":"Noy N. F.","year":"2001"},{"key":"ref29\/cit29","volume-title":"Ontological Engineering with examples from the areas of Knowledge Management, e-Commerce and the Semantic Web","author":"Gomez-Perez A.","year":"2004","edition":"2"},{"key":"ref30\/cit30","doi-asserted-by":"crossref","first-page":"41","DOI":"10.1016\/S0169-023X(02)00195-7","volume":"46","author":"Corcho O.","year":"2003","journal-title":"Data Knowl. Eng."},{"key":"ref31\/cit31","unstructured":"Jones, D. M.; Bench-Capon, T. J. M.; Visser, P. R. 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