Chempound - a Web 2.0-inspired repository for physical science data

  • Sam Adams Unilever Centre for Molecular Science Informatics, University of Cambridge
  • Peter Murray-Rust Unilever Centre for Molecular Science Informatics, University of Cambridge

Abstract

Chempound is a new generation repository architecture based on RDF, semantic dictionaries and linked data. It has been developed to hold any type of chemical object expressible in CML and is exemplified by crystallographic experiments and computational chemistry calculations. In both examples, the repository can hold >50k entries which can be searched by SPARQL endpoints and pre-indexing of key fields. The Chempound architecture is general and adaptable to other fields of data-rich science.
Published
2012-03-08