The current OWL has these SMILES format specs:
<owl:Class rdf:about="&resource;CHEMINF_000150">
<rdfs:label>isomeric SMILES format specification</rdfs:label>
<rdfs:subClassOf rdf:resource="&resource;CHEMINF_000020"/>
</owl:Class>
<owl:Class rdf:about="&resource;CHEMINF_000151">
<rdfs:label>canonical SMILES format specification</rdfs:label>
<rdfs:subClassOf rdf:resource="&resource;CHEMINF_000150"/>
</owl:Class>
However, I do not believe this is 100% correct. They both have the same format
specification, while isomeric/canonical refers to the content. I think I
understand where this comes from, though.
On the other hand, there is OpenSMILES which is different from the Daylight
SMILES, and I am not sure how these two hierarchies should be combined.
Original issue reported on code.google.com by egon.wil...@gmail.com on 9 Jun 2011 at 5:45
Original issue reported on code.google.com by
egon.wil...@gmail.com
on 9 Jun 2011 at 5:45