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Canonical Reaction SMILES

Reaction SMILES is a syntactical extension of regular SMIFES. Since it is composed of regular SMILES punctuated with periods and the  [Pg.106]

Because SMIRKS is a combination of SMILES and SMARTS and because there is no canonical representation of SMARTS, there is no canonical representation of SMIRKS. SMARTS can be considered as a set of instructions on how to match substructures of SMILES. SMIRKS can similarly be considered as a set of instructions on how to identify reactive atoms and combine or alter them in order to carry out a specific transformation of a set of SMILES. [Pg.107]

SMIRKS tutorial. 2007. http //www.daylight.com/dayhtml tutorials/lan-guages/smirks/index.html (accessed April 18,2008). [Pg.107]

The a-addition of immonium ions and anions to isonitriles accompanied by secondary reactions. Angewandte Chemie International Edition in English 1(1) 8-21. [Pg.107]

See other pages where Canonical Reaction SMILES is mentioned: [Pg.106]    [Pg.107]    [Pg.106]    [Pg.107]    [Pg.381]    [Pg.368]    [Pg.369]    [Pg.378]    [Pg.57]    [Pg.21]   


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Canonic reaction

Canonical SMILES

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