summaryrefslogtreecommitdiff
path: root/lib/opentox.owl
diff options
context:
space:
mode:
authorChristoph Helma <helma@in-silico.de>2009-12-19 13:28:55 +0100
committerChristoph Helma <helma@in-silico.de>2009-12-19 13:28:55 +0100
commitca2e240e03a4e458f83281c28b529e44af81d132 (patch)
tree2729de0b81306ff9dfdaa5f2706b4b2dca91735d /lib/opentox.owl
parent03b1a477aca26a8ba662474f16c7427052067d4e (diff)
OWL-DL for fminer and datasets fixed
Diffstat (limited to 'lib/opentox.owl')
-rw-r--r--lib/opentox.owl809
1 files changed, 809 insertions, 0 deletions
diff --git a/lib/opentox.owl b/lib/opentox.owl
new file mode 100644
index 0000000..4760055
--- /dev/null
+++ b/lib/opentox.owl
@@ -0,0 +1,809 @@
+<?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>
+
+<!-- Created with Protege (with OWL Plugin 3.4.1, Build 536) http://protege.stanford.edu -->