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Linking Open Drug Data to Cheminformatics and Proteochemometrics
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Pharmaceutical Biosciences. (Proteochemometrics)
Uppsala University, Disciplinary Domain of Medicine and Pharmacy, Faculty of Pharmacy, Department of Pharmaceutical Biosciences. (Bioclipse & Proteochemometrics Group)
2010 (English)In: SWAT4LS-2009 - Semantic Web Applications and Tools for Life Sciences: Proceedings of the Workshop on Semantic Web Applications and Tools for Life Sciences, Amsterdam, The Netherlands, November 20, 2009. / [ed] M. Scott Marshall, Albert Burger, Paolo Romano, Adrian Paschke, and Andrea Splendiani, Aachen, Germany: Sun SITE Central Europe , 2010Conference paper, Published paper (Refereed)
Abstract [en]

Semantic Web technologies have made great steps forwardin data exchange in health care and life sciences in the past years. Thework presented here focuses to a some extent on making drug discoveryrelated data available as RDF, and even more so on the integration ofRDF approaches with data analysis of molecular information in drugdiscovery fields like cheminformatics and proteochemometrics. We hereshow how the chem- and bioinformatics workbench Bioclipse and theChemistry Development Kit can be used to this purpose.Abstract. Semantic Web technologies have made great steps forwardin data exchange in health care and life sciences in the past years. Thework presented here focuses to a some extent on making drug discoveryrelated data available as RDF, and even more so on the integration ofRDF approaches with data analysis of molecular information in drugdiscovery fields like cheminformatics and proteochemometrics. We hereshow how the chem- and bioinformatics workbench Bioclipse and theChemistry Development Kit can be used to this purpose.

Place, publisher, year, edition, pages
Aachen, Germany: Sun SITE Central Europe , 2010.
Series
CEUR - Workshop Proceedings, ISSN 1613-0073 ; 559
Keyword [en]
semantic web, cheminformatics, Bioclipse, Resource Description Framework, Chemistry Development Kit, proteochemometrics
National Category
Bioinformatics and Systems Biology Computer and Information Science
Research subject
Bioinformatics; Chemistry
Identifiers
URN: urn:nbn:se:uu:diva-119940OAI: oai:DiVA.org:uu-119940DiVA: diva2:301548
Conference
Semantic Web Applications and Tools for Life Sciences, Amsterdam, The Netherlands, November 20, 2009.
Available from: 2010-03-03 Created: 2010-03-03 Last updated: 2011-05-05Bibliographically approved

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Willighagen, EgonWikberg, Jarl

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