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GitHub-278 - hasSimplifiedMolecularInputLineEntrySpecification is misleading and inconsistent #416

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merged 2 commits into from
Jul 14, 2023

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ElisaKendall
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Description: Changed the class and property for SimplifiedMolecularInputLineEntry to SMILES and deprecated the originals throughout per SME request

…putLineEntry to SMILES and deprecated the originals throughout

Signed-off-by: Elisa Kendall <[email protected]>
@ElisaKendall ElisaKendall added the invalid This doesn't seem right label Jul 13, 2023
@ElisaKendall ElisaKendall self-assigned this Jul 13, 2023
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@Heiner-Oberkampf Heiner-Oberkampf left a comment

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Two questions inine

<rdfs:label>amlodipine besylate simplified molecular input line entry</rdfs:label>
<cmns-txt:hasTextValue>OS(=O)(=O)C1=CC=CC=C1.CCOC(=O)C2=C(COCCN)NC(C)=C(C2C3=C(Cl)C=CC=C3)C(=O)OC</cmns-txt:hasTextValue>
<idmp-sub:hasSMILESValue>OS(=O)(=O)C1=CC=CC=C1.CCOC(=O)C2=C(COCCN)NC(C)=C(C2C3=C(Cl)C=CC=C3)C(=O)OC</idmp-sub:hasSMILESValue>
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Why do we need "has SMILES Value" and cannot just reuse the previous hasTextValue?

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@Heiner-Oberkampf It was there before, but not used in the examples .... but it had the long name that Thomas and others objected to

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OK

<owl:Class rdf:about="&idmp-sub;SimplifiedMolecularInputLineEntry">
<owl:deprecated rdf:datatype="&xsd;boolean">true</owl:deprecated>
<owl:equivalentClass rdf:resource="&idmp-sub;SMILES"/>
</owl:Class>
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Is owl:equivalentClass and below the owl:equivalentProperty really the right link from a deprecated resource? From my understanding this would mean that the URIs are treated as equal and that would deprecate the replacement as well.
Could we maybe better use http://purl.org/dc/terms/isReplacedBy ?

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@Heiner-Oberkampf This approach is widely used for dealing with deprecated elements, and is considered a best practice. The equivalences will be removed when we eliminate the deprecated elements eventually. The Dublin Core property does not have any semantics associated with it, whereas use of equivalences allows folks to take advantage of the semantics that the old class/property had in their applications.

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Ok, then fine.

@mereolog mereolog merged commit 785e1fe into master Jul 14, 2023
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@mereolog mereolog deleted the GitHub-278 branch July 14, 2023 08:11
@mereolog mereolog added this to the Release 0.5.0 milestone Sep 22, 2023
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3 participants