Canonical Signatures

Canonical Signatures

Paste your mol file:

Ouput type:        

Output type: select canonical output type.

  • sscan : returns the canonical molecular signature, including stereochemistry annotations.
  • scan : returns the canonical molecular signature without stereochemistry annotations.
  • scano : returns the canonical representation for the molecule (one string fully identifying the molecule).
  • cano : returns the canonical representation for the molecule without stereochemistry annotations.

Signature height: select the desired height of the signature.

  • -- : returns the canonical-height signature (the highest one).

Map atoms: list signatures for each atom in the original mol file. When this option is selected, the signature is no longer canonical.

Global markers: output local or global stereochemistry. Global stereochemistry requires the canonization of the molecule.

Canonical signatures are representations of the local structure of molecules. Their canonical-height version gives a global description of the structure. Canonical representations fully identify molecules. [Read more]

Written by D. Fichera, J.L. Faulon and P. Carbonell. Version 1.0. March, 2010
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