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|
<?xml version="1.0"?>
<rdf:RDF
xmlns:rdf="http://www.w3.org/1999/02/22-rdf-syntax-ns#"
xmlns:protege="http://protege.stanford.edu/plugins/owl/protege#"
xmlns:xsp="http://www.owl-ontologies.com/2005/08/07/xsp.owl#"
xmlns:ot="http://www.opentox.org/api/1.1#"
xmlns:owl="http://www.w3.org/2002/07/owl#"
xmlns:dc="http://purl.org/dc/elements/1.1/"
xmlns:p1="http://purl.org/dc/elements/1.1/#"
xmlns:owl2xml="http://www.w3.org/2006/12/owl2-xml#"
xmlns:xsd="http://www.w3.org/2001/XMLSchema#"
xmlns:swrl="http://www.w3.org/2003/11/swrl#"
xmlns:swrlb="http://www.w3.org/2003/11/swrlb#"
xmlns:rdfs="http://www.w3.org/2000/01/rdf-schema#"
xml:base="http://www.opentox.org/api/1.1">
<owl:Ontology rdf:about="">
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/dev/apis/api-1.1</dc:identifier>
<dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>2009-11-22</dc:date>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>martin.guetlein@gmail.com</dc:contributor>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>jeliazkova.nina@gmail.com</dc:contributor>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>OpenTox resource ontology</rdfs:comment>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>OpenTox API</dc:title>
<dc:creator rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>OpenTox</dc:creator>
</owl:Ontology>
<owl:Class rdf:ID="Dataset">
<dc:description rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:description>
<rdfs:seeAlso rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/dev/apis/api-1.1/dataset</rdfs:seeAlso>
<dc:creator rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:creator>
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>/dataset/{datasetid}</dc:identifier>
<dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:date>
<dc:source rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Original source of the dataset</dc:source>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:title>
<dc:publisher rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:publisher>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Provides access to chemical compounds and their features (e.g. structural, physical-chemical, biological, toxicological properties)</rdfs:comment>
<owl:disjointWith>
<owl:Class rdf:ID="Feature"/>
</owl:disjointWith>
<owl:disjointWith>
<owl:Class rdf:ID="Parameter"/>
</owl:disjointWith>
<dc:contributor rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:contributor>
<rdfs:subClassOf>
<owl:Class rdf:ID="OpentoxResource"/>
</rdfs:subClassOf>
<owl:disjointWith>
<owl:Class rdf:ID="Model"/>
</owl:disjointWith>
<owl:disjointWith>
<owl:Class rdf:ID="FeatureValuePair"/>
</owl:disjointWith>
</owl:Class>
<owl:Class rdf:ID="FeatureValue">
<owl:disjointWith>
<owl:Class rdf:ID="Tuple"/>
</owl:disjointWith>
<rdfs:subClassOf>
<owl:Class rdf:about="#FeatureValuePair"/>
</rdfs:subClassOf>
</owl:Class>
<owl:Class rdf:about="#OpentoxResource">
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>A generic OpenTox resource</rdfs:comment>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>name of the resource</dc:title>
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>URI of the resource</dc:identifier>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>1.1</owl:versionInfo>
</owl:Class>
<owl:Class rdf:ID="ConfusionMatrix">
<rdfs:subClassOf>
<owl:Class rdf:ID="ClassificationStatistics"/>
</rdfs:subClassOf>
</owl:Class>
<owl:Class rdf:about="#Model">
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:title>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>TODO: Specify allowed values for model content</owl:versionInfo>
<dc:format rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>The native format of the model content (e.g. PMML, Weka model, etc.)</dc:format>
<owl:disjointWith>
<owl:Class rdf:about="#Parameter"/>
</owl:disjointWith>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>TODO: Introduce a link to User resource</owl:versionInfo>
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>/model/{modelid}</dc:identifier>
<dc:creator rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>The model creator (perhaps a link to User resource)</dc:creator>
<dc:rights rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:rights>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
<dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>The date of model creation</dc:date>
</owl:Class>
<owl:Class rdf:ID="Validation">
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>A validation corresponds to the validation of a model on a test dataset. The results are stored in another dataset. Parameters with default values are optional.</rdfs:comment>
<dc:date rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Datetime</dc:date>
<rdfs:seeAlso rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/dev/apis/api-1.1/Validation</rdfs:seeAlso>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
</owl:Class>
<owl:Class rdf:ID="Report">
<rdfs:seeAlso rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/dev/apis/api-1.1/Validation#validation-report</rdfs:seeAlso>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
</owl:Class>
<owl:Class rdf:ID="Algorithm">
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>TODO: AlgorithmType, or link to Algorithm ontology</owl:versionInfo>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>1.1</owl:versionInfo>
<dc:source rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Reference</dc:source>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>TODO: statistics supported - is it possible to reuse ValidationInfo classes?</owl:versionInfo>
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>/algorithm/{algorithmid}</dc:identifier>
<dc:description rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:description>
<rdfs:seeAlso rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/dev/apis/api-1.1/Algorithm</rdfs:seeAlso>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Name of the algorithm</dc:title>
<owl:disjointWith>
<owl:Class rdf:about="#Feature"/>
</owl:disjointWith>
<owl:disjointWith rdf:resource="#Model"/>
<owl:disjointWith>
<owl:Class rdf:ID="Compound"/>
</owl:disjointWith>
<owl:disjointWith rdf:resource="#Dataset"/>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
<owl:disjointWith>
<owl:Class rdf:about="#Parameter"/>
</owl:disjointWith>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Provides access to OpenTox algorithms</rdfs:comment>
<dc:publisher rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:publisher>
<owl:disjointWith>
<owl:Class rdf:about="#FeatureValuePair"/>
</owl:disjointWith>
<owl:disjointWith>
<owl:Class rdf:ID="DataEntry"/>
</owl:disjointWith>
</owl:Class>
<owl:Class rdf:ID="CrossValidationInfo">
<rdfs:subClassOf>
<owl:Class rdf:ID="ValidationInfo"/>
</rdfs:subClassOf>
</owl:Class>
<owl:Class rdf:about="#ValidationInfo">
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>encapsulates validation information</rdfs:comment>
<rdfs:subClassOf rdf:resource="#Validation"/>
</owl:Class>
<owl:Class rdf:about="#Compound">
<owl:disjointWith rdf:resource="#Model"/>
<owl:disjointWith>
<owl:Class rdf:about="#FeatureValuePair"/>
</owl:disjointWith>
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>/compound/{compoundid}</dc:identifier>
<rdfs:seeAlso rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/dev/apis/api-1.1/structure</rdfs:seeAlso>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
<owl:disjointWith>
<owl:Class rdf:about="#Feature"/>
</owl:disjointWith>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>1.1</owl:versionInfo>
<owl:disjointWith>
<owl:Class rdf:about="#DataEntry"/>
</owl:disjointWith>
<owl:disjointWith>
<owl:Class rdf:about="#Parameter"/>
</owl:disjointWith>
<owl:disjointWith rdf:resource="#Dataset"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>API for OpenTox compound webservices</rdfs:comment>
</owl:Class>
<owl:Class rdf:ID="Conformer">
<rdfs:subClassOf>
<owl:Restriction>
<owl:onProperty>
<owl:FunctionalProperty rdf:ID="has3Dstructure"/>
</owl:onProperty>
<owl:hasValue rdf:datatype="http://www.w3.org/2001/XMLSchema#boolean"
>true</owl:hasValue>
</owl:Restriction>
</rdfs:subClassOf>
<rdfs:subClassOf rdf:resource="#Compound"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>[Optional] support for multiple (e.g. 3D) structures per chemical compound (single structure by default)</rdfs:comment>
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>/compound/{compoundid}/conformer/{conformerid}</dc:identifier>
</owl:Class>
<owl:Class rdf:about="#ClassificationStatistics">
<rdfs:subClassOf rdf:resource="#ValidationInfo"/>
</owl:Class>
<owl:Class rdf:about="#FeatureValuePair">
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:identifier>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></rdfs:comment>
<owl:disjointWith>
<owl:Class rdf:about="#Parameter"/>
</owl:disjointWith>
<owl:disjointWith rdf:resource="#Model"/>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
</owl:Class>
<owl:Class rdf:about="#Feature">
<owl:disjointWith rdf:resource="#Model"/>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>1.1</owl:versionInfo>
<dc:source rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:source>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
<owl:disjointWith rdf:resource="#FeatureValuePair"/>
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>/feature/{featureid}</dc:identifier>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:title>
<owl:disjointWith>
<owl:Class rdf:about="#Parameter"/>
</owl:disjointWith>
<dc:description rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:description>
</owl:Class>
<owl:Class rdf:about="#Parameter">
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:title>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
</owl:Class>
<owl:Class rdf:ID="YScrambling">
<rdfs:subClassOf rdf:resource="#ValidationInfo"/>
</owl:Class>
<owl:Class rdf:about="#DataEntry">
<owl:disjointWith rdf:resource="#Feature"/>
<dc:identifier rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>/dataset/{datasetid}/compound/{compoundid}?feature_uri[]=featureuris</dc:identifier>
<owl:disjointWith rdf:resource="#Model"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
></dc:title>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>1.1</owl:versionInfo>
<owl:disjointWith rdf:resource="#Parameter"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Encapsulates a dataset entry - defined by a single Compound (or conformer) and multiple FeatureValues. Could be regarded as "Compound with features"</rdfs:comment>
<owl:disjointWith rdf:resource="#FeatureValuePair"/>
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
<owl:disjointWith rdf:resource="#Dataset"/>
</owl:Class>
<owl:Class rdf:ID="Task">
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
</owl:Class>
<owl:Class rdf:ID="Crossvalidation">
<rdfs:subClassOf rdf:resource="#OpentoxResource"/>
</owl:Class>
<owl:Class rdf:ID="EmptyDataset">
<rdfs:subClassOf rdf:resource="#Dataset"/>
</owl:Class>
<owl:Class rdf:about="#Tuple">
<owl:disjointWith rdf:resource="#FeatureValue"/>
<rdfs:subClassOf rdf:resource="#FeatureValuePair"/>
</owl:Class>
<owl:Class rdf:ID="ClassValueStatistics">
<rdfs:subClassOf rdf:resource="#ClassificationStatistics"/>
</owl:Class>
<owl:Class rdf:ID="ConfusionMatrixCell">
<rdfs:subClassOf rdf:resource="#ConfusionMatrix"/>
</owl:Class>
<owl:Class rdf:ID="RegressionStatistics">
<rdfs:subClassOf rdf:resource="#ValidationInfo"/>
</owl:Class>
<owl:ObjectProperty rdf:ID="conformer">
<rdfs:domain rdf:resource="#Compound"/>
<rdfs:range rdf:resource="#Conformer"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="crossvalidationDataset">
<rdfs:range rdf:resource="#Dataset"/>
<rdfs:domain rdf:resource="#Crossvalidation"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="validation">
<rdfs:range rdf:resource="#ValidationInfo"/>
<rdfs:domain rdf:resource="#Validation"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="confusionMatrixPredicted">
<rdfs:range rdf:resource="#FeatureValuePair"/>
<rdfs:domain rdf:resource="#ConfusionMatrixCell"/>
<rdfs:subPropertyOf>
<owl:ObjectProperty rdf:ID="confusionMatrixEntry"/>
</rdfs:subPropertyOf>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="validationPredictionDataset">
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>PredictionDatasetURI</rdfs:comment>
<rdfs:subPropertyOf rdf:resource="#validation"/>
<rdfs:domain rdf:resource="#Validation"/>
<rdfs:range rdf:resource="#Dataset"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="validationTrainingDataset">
<rdfs:subPropertyOf rdf:resource="#validation"/>
<rdfs:range rdf:resource="#Dataset"/>
<rdfs:domain rdf:resource="#Validation"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="complexValue">
<rdfs:range rdf:resource="#FeatureValue"/>
<rdfs:domain rdf:resource="#Tuple"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="model">
<rdfs:domain rdf:resource="#Model"/>
<rdfs:range rdf:resource="#Dataset"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="dependentVariables">
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>A model can have one or more dependent variables, described as multiple features, specified by this relationship.</rdfs:comment>
<rdfs:domain rdf:resource="#Model"/>
<rdfs:subPropertyOf rdf:resource="#model"/>
<rdfs:range rdf:resource="#Feature"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="crossvalidationAlgorithm">
<rdfs:range rdf:resource="#Algorithm"/>
<rdfs:domain rdf:resource="#Crossvalidation"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="validationCrossvalidation">
<rdfs:range rdf:resource="#Crossvalidation"/>
<rdfs:domain rdf:resource="#CrossValidationInfo"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="parameters">
<rdfs:subPropertyOf rdf:resource="#model"/>
<rdfs:range rdf:resource="#Parameter"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Algorithms and Models can have multiple parameters</rdfs:comment>
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
<rdfs:domain>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<owl:Class rdf:about="#Algorithm"/>
<owl:Class rdf:about="#Model"/>
</owl:unionOf>
</owl:Class>
</rdfs:domain>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="validationTestDataset">
<rdfs:range rdf:resource="#Dataset"/>
<rdfs:subPropertyOf rdf:resource="#validation"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Test dataset , used in a validation exercise</rdfs:comment>
<rdfs:domain rdf:resource="#Validation"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="predictedVariables">
<rdfs:range rdf:resource="#Feature"/>
<rdfs:subPropertyOf rdf:resource="#model"/>
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
<rdfs:domain rdf:resource="#Model"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Variables, holding the predicted values, generated by the model</rdfs:comment>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="dataEntry">
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
<rdfs:range rdf:resource="#DataEntry"/>
<rdfs:domain rdf:resource="#Dataset"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>A Dataset contains multiple DataEntries. This property specifies the relationship between Dataset and DataEntry.</rdfs:comment>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="unscrambledDatasetURI">
<rdfs:domain rdf:resource="#YScrambling"/>
<rdfs:subPropertyOf rdf:resource="#validation"/>
<rdfs:range rdf:resource="#Dataset"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>a link to UnscrambledDataset</dc:title>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>UnscrambledDatasetURI</rdfs:comment>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="independentVariables">
<rdfs:domain rdf:resource="#Model"/>
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>A model can have multiple independent variables, described as multiple features, specified by this relationship.</rdfs:comment>
<rdfs:subPropertyOf rdf:resource="#model"/>
<rdfs:range rdf:resource="#Feature"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="hasValidationInfo">
<rdfs:subPropertyOf rdf:resource="#validation"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Links Validation with Validation Info. One validation exercise may have multiple types of validation informaton</rdfs:comment>
<rdfs:domain rdf:resource="#Validation"/>
<rdfs:range rdf:resource="#ValidationInfo"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="predictedFeature">
<rdfs:domain rdf:resource="#Validation"/>
<rdfs:range rdf:resource="#Feature"/>
<rdfs:subPropertyOf rdf:resource="#validation"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="classValue">
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
<rdfs:range rdf:resource="#FeatureValuePair"/>
<rdfs:subPropertyOf>
<owl:ObjectProperty rdf:ID="classValueStatistics"/>
</rdfs:subPropertyOf>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:about="#confusionMatrixEntry">
<rdfs:range rdf:resource="#ConfusionMatrixCell"/>
<rdfs:domain rdf:resource="#ConfusionMatrix"/>
<rdfs:subPropertyOf>
<owl:ObjectProperty rdf:ID="confusionMatrix"/>
</rdfs:subPropertyOf>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="report">
<rdfs:domain rdf:resource="#Report"/>
<rdfs:range rdf:resource="#Validation"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="values">
<rdfs:range rdf:resource="#FeatureValuePair"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>A DataEntry is defined with a single compound and multiple feature values. This property sets the relationship between a DataEntry and multiple FeatureValues</rdfs:comment>
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
<rdfs:domain rdf:resource="#DataEntry"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:about="#classValueStatistics">
<rdfs:domain rdf:resource="#ClassificationStatistics"/>
<rdfs:range rdf:resource="#ClassValueStatistics"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:about="#confusionMatrix">
<rdfs:domain rdf:resource="#ClassificationStatistics"/>
<rdfs:range rdf:resource="#ConfusionMatrix"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="confusionMatrixActual">
<rdfs:domain rdf:resource="#ConfusionMatrixCell"/>
<rdfs:subPropertyOf rdf:resource="#confusionMatrixEntry"/>
<rdfs:range rdf:resource="#FeatureValuePair"/>
</owl:ObjectProperty>
<owl:ObjectProperty rdf:ID="validationReport">
<rdfs:range rdf:resource="#Validation"/>
<rdfs:subPropertyOf rdf:resource="#report"/>
<rdfs:domain rdf:resource="#Report"/>
</owl:ObjectProperty>
<owl:DatatypeProperty rdf:ID="precision">
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="numFalsePositives">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="stratified">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#boolean"/>
<rdfs:domain rdf:resource="#Crossvalidation"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="numFolds">
<rdfs:domain rdf:resource="#Crossvalidation"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="falsePositiveRate">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="fMeasure">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="yScramblingInfo">
<rdfs:domain rdf:resource="#YScrambling"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="falseNegativeRate">
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="hasStatus">
<rdfs:range>
<owl:DataRange>
<owl:oneOf rdf:parseType="Resource">
<rdf:first rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Cancelled</rdf:first>
<rdf:rest rdf:parseType="Resource">
<rdf:rest rdf:parseType="Resource">
<rdf:first rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Running</rdf:first>
<rdf:rest rdf:resource="http://www.w3.org/1999/02/22-rdf-syntax-ns#nil"/>
</rdf:rest>
<rdf:first rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Completed</rdf:first>
</rdf:rest>
</owl:oneOf>
</owl:DataRange>
</rdfs:range>
<rdfs:domain rdf:resource="#Task"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="percentUnpredicted">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<rdfs:domain rdf:resource="#Validation"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="classificationStatistics">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<rdfs:domain rdf:resource="#ClassificationStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="rSquare">
<rdfs:subPropertyOf>
<owl:DatatypeProperty rdf:ID="regressionStatistics"/>
</rdfs:subPropertyOf>
<rdfs:domain rdf:resource="#RegressionStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="truePositiveRate">
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="percentWithoutClass">
<rdfs:domain rdf:resource="#Validation"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="numWithoutClass">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
<rdfs:domain rdf:resource="#Validation"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="paramValue">
<rdfs:domain rdf:resource="#Parameter"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Parameter value</dc:title>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>The value of a Parameter</rdfs:comment>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="statisticsSupported">
<rdfs:domain rdf:resource="#Algorithm"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#string"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="numUnpredicted">
<rdfs:domain rdf:resource="#Validation"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="crossValidationInfo">
<rdfs:domain rdf:resource="#CrossValidationInfo"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:about="#regressionStatistics">
<rdfs:domain rdf:resource="#RegressionStatistics"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="numTrueNegatives">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="recall">
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="numInstances">
<rdfs:domain rdf:resource="#Validation"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="numFalseNegatives">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="units">
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Units</dc:title>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Units for a feature value</rdfs:comment>
<owl:versionInfo rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>TODO: make use of units ontology</owl:versionInfo>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="areaUnderROC">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="randomSeed">
<rdfs:domain rdf:resource="#Crossvalidation"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#long"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="trueNegativeRate">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="confusionMatrixValue">
<rdfs:domain rdf:resource="#ConfusionMatrixCell"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
</owl:DatatypeProperty>
<owl:DatatypeProperty rdf:ID="numTruePositives">
<rdfs:domain rdf:resource="#ClassValueStatistics"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
</owl:DatatypeProperty>
<owl:TransitiveProperty rdf:ID="isA">
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Allows to define "is a" relationships outside of particular class hierarchy</rdfs:comment>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/>
</owl:TransitiveProperty>
<owl:FunctionalProperty rdf:ID="validationModel">
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Model used in a validation exercise</rdfs:comment>
<rdfs:subPropertyOf rdf:resource="#validation"/>
<rdfs:range rdf:resource="#Model"/>
<rdfs:domain rdf:resource="#Validation"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="numIncorrect">
<rdfs:domain rdf:resource="#ClassificationStatistics"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Number incorrect</dc:title>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
<rdfs:subPropertyOf rdf:resource="#classificationStatistics"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="percentCorrect">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Percent Correct</dc:title>
<rdfs:domain rdf:resource="#ClassificationStatistics"/>
<rdfs:subPropertyOf rdf:resource="#classificationStatistics"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="rootMeanSquaredError">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>RootMeanSquaredError</rdfs:comment>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
<rdfs:subPropertyOf rdf:resource="#regressionStatistics"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="yScramblingEnabled">
<rdfs:subPropertyOf rdf:resource="#yScramblingInfo"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
<rdfs:domain rdf:resource="#YScrambling"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>YScramblingEnabled</dc:title>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#boolean"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>YScramblingEnabled</rdfs:comment>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="yScramblingSeed">
<rdfs:subPropertyOf rdf:resource="#yScramblingInfo"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>YScramblingSeed</dc:title>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>YScramblingSeed</rdfs:comment>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
<rdfs:domain rdf:resource="#YScrambling"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="fold">
<rdfs:domain rdf:resource="#CrossValidationInfo"/>
<rdfs:subPropertyOf rdf:resource="#crossValidationInfo"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:about="#has3Dstructure">
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Has 3D structure</dc:title>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#boolean"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>True, if the compound has 3D structure</rdfs:comment>
<rdfs:domain rdf:resource="#Compound"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="value">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Literal</rdfs:comment>
<rdfs:domain rdf:resource="#FeatureValue"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Feature value</dc:title>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="trainingDataset">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/>
<rdfs:domain rdf:resource="#Model"/>
<rdfs:subPropertyOf rdf:resource="#model"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>A model is derived by applying an Algorithm on a training Dataset.</rdfs:comment>
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
<rdfs:range rdf:resource="#Dataset"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="realRuntime">
<rdfs:domain rdf:resource="#Validation"/>
<rdfs:domain rdf:resource="#Crossvalidation"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#long"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="algorithm">
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>The algorithm, used to create the Model</rdfs:comment>
<rdfs:range rdf:resource="#Algorithm"/>
<rdfs:subPropertyOf rdf:resource="#model"/>
<rdfs:domain rdf:resource="#Model"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="numCorrect">
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#int"/>
<rdfs:subPropertyOf rdf:resource="#classificationStatistics"/>
<rdfs:domain rdf:resource="#ClassificationStatistics"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Number correct</dc:title>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="hasSource">
<rdfs:domain rdf:resource="#Feature"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/>
<rdfs:range>
<owl:Class>
<owl:unionOf rdf:parseType="Collection">
<owl:Class rdf:about="#Algorithm"/>
<owl:Class rdf:about="#Dataset"/>
<owl:Class rdf:about="#Model"/>
</owl:unionOf>
</owl:Class>
</rdfs:range>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="paramScope">
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>specifies if a parameter is optional or mandatory</rdfs:comment>
<rdfs:domain rdf:resource="#Parameter"/>
<rdfs:range>
<owl:DataRange>
<owl:oneOf rdf:parseType="Resource">
<rdf:rest rdf:parseType="Resource">
<rdf:rest rdf:resource="http://www.w3.org/1999/02/22-rdf-syntax-ns#nil"/>
<rdf:first rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>optional</rdf:first>
</rdf:rest>
<rdf:first rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>mandatory</rdf:first>
</owl:oneOf>
</owl:DataRange>
</rdfs:range>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Parameter scope</dc:title>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="percentageCompleted">
<rdfs:domain rdf:resource="#Task"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Percentage completed</dc:title>
<rdfs:subPropertyOf rdf:resource="#classificationStatistics"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="compound">
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
<rdfs:range rdf:resource="#Compound"/>
<rdfs:domain rdf:resource="#DataEntry"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>A DataEntry is defined with a single compound and multiple feature values. This property sets the relationship between a DataEntry and a Compound</rdfs:comment>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="percentIncorrect">
<rdfs:subPropertyOf rdf:resource="#classificationStatistics"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
<dc:title rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>Percent Incorrect</dc:title>
<rdfs:domain rdf:resource="#ClassificationStatistics"/>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="meanAbsolutError">
<rdfs:subPropertyOf rdf:resource="#regressionStatistics"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>MeanAbsolutError</rdfs:comment>
<rdfs:range rdf:resource="http://www.w3.org/2001/XMLSchema#float"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#DatatypeProperty"/>
</owl:FunctionalProperty>
<owl:FunctionalProperty rdf:ID="feature">
<rdfs:range rdf:resource="#Feature"/>
<rdfs:comment rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>FeatureValue contains a value for specific Feature, specified by this relationship.</rdfs:comment>
<rdfs:domain rdf:resource="#FeatureValuePair"/>
<rdf:type rdf:resource="http://www.w3.org/2002/07/owl#ObjectProperty"/>
<rdfs:isDefinedBy rdf:datatype="http://www.w3.org/2001/XMLSchema#string"
>http://opentox.org/api/1.1</rdfs:isDefinedBy>
</owl:FunctionalProperty>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/date"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/source"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/identifier"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/title"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/rights"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/publisher"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/description"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/format"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/creator"/>
<owl:AnnotationProperty rdf:about="http://purl.org/dc/elements/1.1/contributor"/>
</rdf:RDF>
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