Enhancement of the chemical semantic web through the use of InChI identifiers

Organic and Biomolecular Chemistry

Volumn 3, Issue 10, 2005, Pages 1832-1834

  Coles, Simon J ^a   Day, Nick E ^b   Murray Rust, Peter ^b   Rzepa, Henry S ^c   Zhang, Yong ^b  

^a UNIVERSITY OF SOUTHAMPTON   (United Kingdom)

^b UNIVERSITY OF CAMBRIDGE   (United Kingdom)

^c IMPERIAL COLLEGE LONDON   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AGGLOMERATION; MOLECULAR DYNAMICS; NETWORK PROTOCOLS; SEARCH ENGINES; SEMANTICS; STEREOCHEMISTRY;

CHEMICAL MARKUP LANGUAGE (CML); CHEMICAL SEMANTIC WEB; INTERNATIONAL CHEMICAL IDENTIFIER (INCHI); TAUTOMERS;

WORLD WIDE WEB;

EID: 19944419184     PISSN: 14770520     EISSN: None     Source Type: Journal    
DOI: 10.1039/b502828k     Document Type: Article

References (21)

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2. for reviews covering a ten year period, see:; H. S. Rzepa, B. J. Whitaker and M. J. Winter, J. Chem. Soc., Chem. Commun., 1994, 1907;
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4. For documentation see http://www.w3.org/2001/sw/.
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8. S. E. Stein, S. R. Heller, and D. Tchekhovski, An Open Standard for Chemical Structure Representation - The IUPAC Chemical Identifier, 2003, Nimes International Chemical Information Conference Proceedings, pp 131-143;
9. S. E. Stein, S. R. Heller and D. V. Tchekhovskoi, Abstracts of Papers, 222nd ACS National Meeting, Chicago, IL, August 26-30 2001, CINF-005. See http://www.iupac.org/projects/2000/2000-025-l-800.html for information on how to acquire the code.
10. The continuing InChI development will address polymers, transition states, mixtures and reactions.
11. We have compiled an extensive FAQ and tutorials which address many of the new concepts in InChI at http://wwmm.ch.cam.ac.uk/inchfaq/index.html.
12. Available as free services at http://wwmm.ch.cam.ac.uk/gridsphere/ gridsphere?cid=generateinchi&JavaScript=enabled.
13. P. Murray-Rust, H. S. Rzepa and Y. Zhang, W3C Workshop on Semantic Web for Life Sciences, 27-28 October 2004, Cambridge, MA. See http://lists.w3.org/ Archives/Public/public-swls-ws/2004Oct/att-0019/.
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20. G. V. Gkoutos, C. Leach and H. S. Rzepa, New. J. Chem., 2002, 656-666. See http://www.ch.ic.ac.uk/rzepa/inchi/ for access to the InChl index/search.
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