search

enanomapper / enmSummaries

Engineered NanoMaterial Summaries
0 stars 0 forks source link

add C60 and/or fullerenol #4

Open egonw opened 8 years ago

egonw commented 8 years ago

Which, like other carbon-based materials, gives a current challenge... how do I search for them? Are they all properly annotated with SMILES? Can I also find derivatives using a good SMARTS, or should I do a ontology search? (cc @vedina)

vedina commented 8 years ago

Do you have fullerenes in NanoWiki (I don't think so)? If adding to NanoWiki now, just provide the proper SMILES. Ontology annotation would be nice as well.

All fullerenes so far come from caNanoLab and only visible in the integrated view / search UI.

egonw commented 8 years ago

Only in the new NanoWiki version. I'll email that today or tomorrow...