search

enanomapper / data.enanomapper.net

Report issues or feature requests for eNanoMapper search page at
http://search.data.enanomapper.net
0 stars 2 forks source link

missing InChI(Key) for coatings #70

Open egonw opened 7 years ago

egonw commented 7 years ago

See https://data.enanomapper.net/compound/145/conformer/264

image

egonw commented 7 years ago

@vedina where in the code should I be looking for a place to autogenerate the InChI and InChIKey from the SMILES?