From 354aaa649e9eeed5d81793e09d9714b45063c147 Mon Sep 17 00:00:00 2001 From: Christoph Helma Date: Wed, 8 Feb 2012 13:14:11 +0100 Subject: toxbank-investigation compatible version --- lib/opentox.owl | 809 -------------------------------------------------------- 1 file changed, 809 deletions(-) delete mode 100644 lib/opentox.owl (limited to 'lib/opentox.owl') diff --git a/lib/opentox.owl b/lib/opentox.owl deleted file mode 100644 index 4760055..0000000 --- a/lib/opentox.owl +++ /dev/null @@ -1,809 +0,0 @@ - - - - http://opentox.org/dev/apis/api-1.1 - 2009-11-22 - martin.guetlein@gmail.com - jeliazkova.nina@gmail.com - OpenTox resource ontology - OpenTox API - OpenTox - - - - http://opentox.org/dev/apis/api-1.1/dataset - - /dataset/{datasetid} - - Original source of the dataset - - - Provides access to chemical compounds and their features (e.g. structural, physical-chemical, biological, toxicological properties) - - - - - - - - - - - - - - - - - - - - - - - - - - - A generic OpenTox resource - name of the resource - URI of the resource - 1.1 - - - - - - - - - TODO: Specify allowed values for model content - The native format of the model content (e.g. PMML, Weka model, etc.) - - - - TODO: Introduce a link to User resource - /model/{modelid} - The model creator (perhaps a link to User resource) - - - The date of model creation - - - 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. - Datetime - http://opentox.org/dev/apis/api-1.1/Validation - - - - http://opentox.org/dev/apis/api-1.1/Validation#validation-report - - - - TODO: AlgorithmType, or link to Algorithm ontology - 1.1 - Reference - TODO: statistics supported - is it possible to reuse ValidationInfo classes? - /algorithm/{algorithmid} - - http://opentox.org/dev/apis/api-1.1/Algorithm - Name of the algorithm - - - - - - - - - - - - - Provides access to OpenTox algorithms - - - - - - - - - - - - - - - encapsulates validation information - - - - - - - - /compound/{compoundid} - http://opentox.org/dev/apis/api-1.1/structure - - - - - 1.1 - - - - - - - - API for OpenTox compound webservices - - - - - - - - true - - - - [Optional] support for multiple (e.g. 3D) structures per chemical compound (single structure by default) - /compound/{compoundid}/conformer/{conformerid} - - - - - - - - - - - - - - - - 1.1 - - - - /feature/{featureid} - - - - - - - - - - - - - - - - /dataset/{datasetid}/compound/{compoundid}?feature_uri[]=featureuris - - - 1.1 - - Encapsulates a dataset entry - defined by a single Compound (or conformer) and multiple FeatureValues. Could be regarded as "Compound with features" - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - PredictionDatasetURI - - - - - - - - - - - - - - - - - - - A model can have one or more dependent variables, described as multiple features, specified by this relationship. - - - - - - - - - - - - - - - - Algorithms and Models can have multiple parameters - http://opentox.org/api/1.1 - - - - - - - - - - - - - Test dataset , used in a validation exercise - - - - - - http://opentox.org/api/1.1 - - Variables, holding the predicted values, generated by the model - - - http://opentox.org/api/1.1 - - - A Dataset contains multiple DataEntries. This property specifies the relationship between Dataset and DataEntry. - - - - - - a link to UnscrambledDataset - UnscrambledDatasetURI - - - - http://opentox.org/api/1.1 - A model can have multiple independent variables, described as multiple features, specified by this relationship. - - - - - - Links Validation with Validation Info. One validation exercise may have multiple types of validation informaton - - - - - - - - - - - - - - - - - - - - - - - - - - - - - A DataEntry is defined with a single compound and multiple feature values. This property sets the relationship between a DataEntry and multiple FeatureValues - http://opentox.org/api/1.1 - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Cancelled - - - Running - - - Completed - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Parameter value - The value of a Parameter - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - Units - Units for a feature value - TODO: make use of units ontology - - - - - - - - - - - - - - - - - - - - - - - Allows to define "is a" relationships outside of particular class hierarchy - - - - Model used in a validation exercise - - - - - - - - Number incorrect - - - - - - - Percent Correct - - - - - - - RootMeanSquaredError - - - - - - - - YScramblingEnabled - - YScramblingEnabled - - - - - YScramblingSeed - YScramblingSeed - - - - - - - - - - - Has 3D structure - - True, if the compound has 3D structure - - - - - - Literal - - Feature value - - - - - - A model is derived by applying an Algorithm on a training Dataset. - http://opentox.org/api/1.1 - - - - - - - - - - http://opentox.org/api/1.1 - The algorithm, used to create the Model - - - - - - - - - - Number correct - - - - - - - - - - - - - - - - - - specifies if a parameter is optional or mandatory - - - - - - - optional - - mandatory - - - - Parameter scope - - - - - Percentage completed - - - - - http://opentox.org/api/1.1 - - - - A DataEntry is defined with a single compound and multiple feature values. This property sets the relationship between a DataEntry and a Compound - - - - - Percent Incorrect - - - - - - MeanAbsolutError - - - - - - FeatureValue contains a value for specific Feature, specified by this relationship. - - - http://opentox.org/api/1.1 - - - - - - - - - - - - - - -- cgit v1.2.3