double bond geometry/tautomers in .sdf file needs to be checked

OpenSourceMalaria / OSM_compounds

Database of OSM compounds to date - SDF and Excel versions

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double bond geometry/tautomers in .sdf file needs to be checked #2

Open incoherentboy opened 11 years ago

incoherentboy commented 11 years ago

Smiles to InChi to sdf conversion has thrown some double bonds into the wrong positions

mattodd commented 11 years ago

Was this dealt with in the current version of the sdf file? @murrayfold ?

murrayfold commented 11 years ago

Everything is OK in the SDF file. I've noticed this with the InChi's before and flagged it with Chris S. He told be there shouldn't be an issues but there blatantly is. It might be to do with the way we are generating them. I'll try and find time after the meeting today to look at this