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Algorithm for Advanced Canonical Coding of Planar Chemical Structures That Considers Stereochemical and Symmetric Information.

Shungo KoichiSatoru IwataTakeaki UnoHiroyuki KoshinoHiroko Satoh
Published in: J. Chem. Inf. Model. (2007)
Keyphrases
  • chemical structures
  • kernel function
  • high dimensional data