Journal articles on InChI

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.