¾Á¸»ŠÊ˜·³Ç

Skip to main content

RDF technologies in chemistry

The 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.

Editors: Dr Martin Paul Braendle, Dr Egon Willighagen


  1. The drug discovery process is now highly dependent on the management, curation and integration of large amounts of potentially useful data. Semantics are necessary in order to interpret the information and der...

    Authors: Mark I Borkum and Jeremy G Frey
    Citation: Journal of Cheminformatics 2014 6:18
  2. Over the past several centuries, chemistry has permeated virtually every facet of human lifestyle, enriching fields as diverse as medicine, agriculture, manufacturing, warfare, and electronics, among numerous ...

    Authors: Leonid L Chepelev and Michel Dumontier
    Citation: Journal of Cheminformatics 2011 3:20
  3. There is an abundance of information about drugs available on the Web. Data sources range from medicinal chemistry results, over the impact of drugs on gene expression, to the outcomes of drugs in clinical tri...

    Authors: Matthias Samwald, Anja Jentzsch, Christopher Bouton, Claus Stie Kallesøe, Egon Willighagen, Janos Hajagos, M Scott Marshall, Eric Prud'hommeaux, Oktie Hassanzadeh, Elgar Pichler and Susie Stephens
    Citation: Journal of Cheminformatics 2011 3:19
  4. The AMBIT web services package is one of the several existing independent implementations of the OpenTox Application Programming Interface and is built according to the principles of the Representational State...

    Authors: Nina Jeliazkova and Vedrin Jeliazkov
    Citation: Journal of Cheminformatics 2011 3:18
  5. The primary method for scientific communication is in the form of published scientific articles and theses which use natural language combined with domain-specific terminology. As such, they contain free owing...

    Authors: Lezan Hawizy, David M Jessop, Nico Adams and Peter Murray-Rust
    Citation: Journal of Cheminformatics 2011 3:17
  6. The diversity and the largely independent nature of chemical research efforts over the past half century are, most likely, the major contributors to the current poor state of chemical computational resource an...

    Authors: Leonid L Chepelev and Michel Dumontier
    Citation: Journal of Cheminformatics 2011 3:16
  7. Authors: Egon L Willighagen and Martin P Brändle
    Citation: Journal of Cheminformatics 2011 3:15