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Impsmiles function

Some external programs may also need more information about exactly how many hydrogen atoms are attached to each heavy atom. The impsmiles function will produce a SMILES that contains the implicit hydrogen atom count. For example, impsmiles ( CC (C) 0 ) returns [CH3] [CH]([CH3])[OH],... [Pg.83]

See other pages where Impsmiles function is mentioned: [Pg.83]    [Pg.83]   
See also in sourсe #XX -- [ Pg.83 ]



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