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Update descriptor algorithms ontology.
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Signed-off-by: Egon Willighagen <egonw@users.sourceforge.net>
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@johnmay @egonw
johnmay authored and egonw committed Apr 7, 2014
1 parent fcd9050 commit f0df4ea
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28 changes: 28 additions & 0 deletions base/dict/src/main/resources/org/openscience/cdk/dict/data/descriptor-algorithms.owl
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<rdfs:label>Federico Marighetti</rdfs:label>
</Contributor>

<Contributor rdf:ID="ac">
<rdfs:label>Alex Clark</rdfs:label>
</Contributor>

<!-- the facts: Categories -->

<Category rdf:ID="descriptorCategories">
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<isClassifiedAs rdf:resource="#topologicalDescriptor"/>
<isClassifiedAs rdf:resource="#molecularDescriptor"/>
</Descriptor>

<Descriptor rdf:ID="smallRings">
<rdfs:label>Small Ring Descriptor</rdfs:label>
<dc:contributor rdf:resource="#ac"/>
<dc:date>2014-01-19</dc:date>
<definition rdf:parseType='Literal'>
An enumeration of all the small rings (sizes 3 to 9) in a molecule, which can be obtained quickly and deterministically.
</definition>
<isClassifiedAs rdf:resource="#topologicalDescriptor"/>
<isClassifiedAs rdf:resource="#molecularDescriptor"/>
</Descriptor>

<Descriptor rdf:ID="fractionalPSA">
<rdfs:label>Fractional PSA Descriptor</rdfs:label>
<dc:contributor rdf:resource="#ac"/>
<dc:date>2014-01-19</dc:date>
<definition rdf:parseType='Literal'>
Polar surface area expressed as a ratio to molecular size. Calculates <b>tpsaEfficiency</b>, which is
to TPSADescriptor/ molecular weight, in units of square Angstroms per Dalton.
</definition>
<isClassifiedAs rdf:resource="#topologicalDescriptor"/>
<isClassifiedAs rdf:resource="#electronicDescriptor"/>
<isClassifiedAs rdf:resource="#molecularDescriptor"/>
</Descriptor>

<Descriptor rdf:ID="ip">
<rdfs:label>Ionization Potential</rdfs:label>
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