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About SMILES specifications #4

Closed GoogleCodeExporter closed 7 years ago

GoogleCodeExporter commented 9 years ago 
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