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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. The Chempound software is hosted at http://bitbucket.org/chempound and is available under the Apache License, Version 2.0
<<<!!!<<< CRAWDAD has moved to IEEE-Dataport https://www.re3data.org/repository/r3d100012569 The datasets in the Community Resource for Archiving Wireless Data at Dartmouth (CRAWDAD) repository are now hosted as the CRAWDAD Collection on IEEE Dataport. After nearly two decades as a stand-alone archive at crawdad.org, the migration of the collection to IEEE DataPort provides permanence and new visibility. >>>!!!>>>
ChemSpider is a free chemical structure database providing fast access to over 58 million structures, properties and associated information. By integrating and linking compounds from more than 400 data sources, ChemSpider enables researchers to discover the most comprehensive view of freely available chemical data from a single online search. It is owned by the Royal Society of Chemistry. ChemSpider builds on the collected sources by adding additional properties, related information and links back to original data sources. ChemSpider offers text and structure searching to find compounds of interest and provides unique services to improve this data by curation and annotation and to integrate it with users’ applications.