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Linking Open Drug Data to Cheminformatics and Proteochemometrics

by Egon L Willighagen, Jarl E S Wikberg
CEUR Workshop Proceedings (2010)
  • ISSN: 16130073

Abstract

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

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