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RDF technologies in chemistry

Edited by: Dr Martin Paul Braendle, Dr Egon Willighagen

Collection published: 13 May 2011

Last updated: 19 May 2011

The American Chemical Society Division of Chemical InformationThe American Chemical Society (ACS) Division of Chemical Information (CINF) invited scientists from around the world to present their use of RDF technologies in chemistry on 22nd-23rd August 2010 at the 240th ACS National Meeting in Boston, USA. During three half-day sessions, the speakers demonstrated a mix of smaller and larger initiatives where Resource Description Framework (RDF) technologies are used in cheminformatics and bioinformatics as Open Standards for data exchange, common languages (ontologies), and problem solving. This Thematic Series introduces work presented at that meeting, showing the current advances in cheminformatics using these RDF technologies.

Article processing charges for this Thematic Series have been partially funded by Pfizer, Inc. Pfizer, Inc. has had no input into the content of the publication or the articles themselves. All articles in the series have been independently prepared by the authors and have been subject to the journal's standard peer review process.


Methodology   Open Access Highly Accessed

Chemical Entity Semantic Specification: Knowledge representation for efficient semantic cheminformatics and facile data integration

Leonid L Chepelev, Michel Dumontier Journal of Cheminformatics 2011, 3:20 (19 May 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

Preliminary communication   Open Access Highly Accessed

Linked open drug data for pharmaceutical research and development

Matthias Samwald, Anja Jentzsch, Christopher Bouton, Claus Kallesøe, Egon Willighagen, Janos Hajagos, M Marshall, Eric Prud'hommeaux, Oktie Hassanzadeh, Elgar Pichler, Susie Stephens Journal of Cheminformatics 2011, 3:19 (16 May 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

Software   Open Access Highly Accessed

AMBIT RESTful web services: an implementation of the OpenTox application programming interface

Nina Jeliazkova, Vedrin Jeliazkov Journal of Cheminformatics 2011, 3:18 (16 May 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

Research article   Open Access Highly Accessed

ChemicalTagger: A tool for semantic text-mining in chemistry

Lezan Hawizy, David M Jessop, Nico Adams, Peter Murray-Rust Journal of Cheminformatics 2011, 3:17 (16 May 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central

Methodology   Open Access

Semantic Web integration of Cheminformatics resources with the SADI framework

Leonid L Chepelev, Michel Dumontier Journal of Cheminformatics 2011, 3:16 (16 May 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract

Editorial   Open Access Highly Accessed

Resource description framework technologies in chemistry

Egon L Willighagen, Martin P Brändle Journal of Cheminformatics 2011, 3:15 (13 May 2011)

Abstract | Full text | PDF | PubMed | Cited on BioMed Central | Graphical abstract


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