Closed JamesJeffryes closed 5 years ago
From @smoretti on January 6, 2017 12:48
Also
Failure to parse these strings is caused by a suffix appended to the InChI string to prevent certain compounds from being merged. To remedy this I'll split this suffix into a new column and update the InChIs
We can simply retrieve the original InChIs as listed in the Structures directory rather than attempt to re-parse the ones in the 'structure' column
Great, thanks
From @smoretti on October 14, 2016 13:40
We found about 1208 InChI strings that cannot be read by the software Chemaxon from the ModelSEED compound data. E.g.
Copied from original issue: ModelSEED/ModelSEED-UI#60