SMARTS (language)

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SMARTS or the SMiles ARbitrary Target Specification is a line notation "language" used by chemical information systems to represent a molecule and to communicate its structure from one place to another. The SMARTS line notation is expressive and allows extremely precise and transparent substructural specification and atom typing.[1]

SMARTS is related to the SMILES line notation that is used to encode molecular structures, and like SMILES it was originally developed by David Weininger and colleagues at Daylight Chemical Information Systems.[2]

OpenEye Scientific Software has developed their own version of SMARTS which differs from the original Daylight version in how the R descriptor is defined.[3]

See also

Further reading

References

  1. "SMARTS Tutorial". Daylight Chemical Information Systems, Inc. http://www.daylight.com/dayhtml_tutorials/languages/smarts/index.html. Retrieved 15 February 2013. 
  2. Regis, Edward (2003). The Info Mesa: Science, Business, and New Age Alchemy on the Santa Fe Plateau. New York: W. W. Norton & Company. p. 84. ISBN 0393021238. http://books.google.com/books?id=txTbgtUbJRgC&pg=PA84. 
  3. "OpenEye - SMARTS Pattern Matching". OpenEye Scientific Software, Inc. 13 October 2012. http://www.eyesopen.com/docs/toolkits/current/html/OEChem_TK-python/SMARTS.html. Retrieved 15 February 2013.