> InChI
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The IUPAC International Chemical Identifier
(InChITM)
A selection of references to articles and presentations that use
InChI is listed below:
- Tautomer Identification and Tautomer Structure Generation Based on the InChI Code, T. Thalheim et al, J. Chem. Inf. Model., Publication Date (Web): June 29, 2010; doi:10.1021/ci1001179
- Mining Patents Using Molecular Similarity Search,
J. Rhodes, S. Boyer, J. Kreulen, Y. Chen, and P. Ordonez, Pac.
Symp. Biocomput., 2007, 304-315. >
pdf [http://psb.stanford.edu/psb-online/proceedings/psb07/rhodes.pdf]
- SemanticEye: A Semantic Web Application to Rationalize
and Enhance Chemical Electronic Publishing, Omer Casher and Henry
S. Rzepa, J. Chem. Inf. Model.; 2006; ASAP Web Release
Date: 01-Nov-2006. [doi:10.1021/ci060139e]
- Chemical Structure Indexing of Toxicity Data on
the Internet: Moving toward a Flat World, A. M. Richard, G. L.
Swirsky, and M. C. Nicklaus, Current Opinion in Drug Discovery
and Development, 2006, 9:314-325
- Bringing Chemical Data onto the Semantic Web,
K. R. Taylor, R. J. Gledhill, J. W. Essex, J. G. Frey, S. W. Harris
and D. C. De Roure, J. Chem. Inf. Model., 2006, 46(3),
939-952. [doi:10.1021/ci050378m]
- A Computer-Aided Drug Discovery System for Chemistry
Teaching, Robert Gledhill, Sarah Kent, Brian Hudson, W. Graham
Richards, Jonathan W. Essex, and Jeremy G. Frey, J. Chem. Inf.
Model., 2006, 46(3), 960-970. [doi:10.1021/ci050383q]
- Analysis
of a Set of 2.6 Million Unique Compounds gathered from the Libraries
of 32 Chemical Providers, A. Monge, A. Arrault, C. Marot and
L. Morin-Allory, presented at the 10th Electronic Computational
Chemistry Conference, April 2005
- Application of InChI to Curate, Index, and Query
3-D Structures, M.D. Prasanna, J. Vondrasek, A. Wlodawer and T.N.
Bhat, Proteins: Structure, Function, and Bioinformatics,
2005, 60, 1-4. [doi:10.1002/prot.20469]
- Enhancement of the Chemical Semantic Web Through
the Use of InChI Identifiers, S.J. Coles, N.E. Day, P. Murray-Rust,
H.S. Rzepa and Y. Zhang, Org. Biomol. Chem., 2005, 3(10),
1832-1834 [doi:10.1039/b502828k]
- Representation and Use of Chemistry in the Global
Electronic Age, P. Murray-Rust, H.S. Rzepa, S.M. Tyrrell and Y.
Zhang, Org. Biomol. Chem., 2004, 3192-3203
[www.ch.ic.ac.uk/rzepa/obc/]
- P. Murray-Rust, H. S. Rzepa and Y. Zhang, Googling
for INChIs; A Remarkable Method of Chemical Searching, W3C
Workshop on Semantic Web for Life Sciences, 27-28 October 2004,
Cambridge, Massachusetts USA.
- P. Murray-Rust, H. S. Rzepa and S. Stein, The
INChI as an LSID for Molecules in Lifescience, W3C Workshop
on Semantic Web for Life Sciences, 27-28 October 2004, Cambridge,
Massachusetts USA.
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