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bugfix for is.smiles #140

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wants to merge 1 commit into from
Closed

bugfix for is.smiles #140

wants to merge 1 commit into from

Commits on Jan 11, 2018

  1. bugfix for is.smiles 

    is.smiles previously returned TRUE for invalid SMILES. Suspect this was due to changes in rcdk::parse.smiles. 
This update should correctly return TRUE for valid SMILES, and FALSE for un-parseable SMILES.
    @allaway
    allaway committed Jan 11, 2018
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