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OpenTox Interface for Reporting.


This page is dedicated to REACH relevant reporting. For pure validation reports (validation statistics and comparison of algorithms) see Report section in Validation-API.


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REACH Reports

Component description

A report visualizes the (prediction) results of algorithms.

REST operations

Description Method URI Parameters Result Status codes
Create QMRF report  *)
/reach_report/qmrf application/x-form-www-urlencoded

=Model URI

or application/qmrf-xml
for creating a report with predefined QMRF XML content

Report URI or Task URI 200,400,404,500
Replaces QMRF report
for creating a report with predefined QMRF XML content

Report URI 200,400,404,500
Update partially QMRF report
POST /reach_report/qmrf/{reportid} validation_uri = a List of crossvalidation URIs
and/or validation URIs of the same model

<report_section (as defined in qmrf.dtd)> = content as string

Report URI or Task URI 200,400,404,500
Delete QMRF report
/reach_report/qmrf/{reportid} [subjectid]
deletes the report
Retrieves the report
[subjectid] representation, , format specified by MIME type (XML, RDF, HTML, PDF, XLS, where applicable)
Start qmrf editor with report
/reach_report/qmrf/{reportid}/editor [subjectid] return jnlp, starts QMRF editor as Java webstart application
QMRF report searching facilities
any or subset of
= Model URI
dataset_uri = Dataset URI
compound_uri = Compound URI
algorithm_uri = Algorithm URI
endpoint_uri= endpoint URI, as defined by the ontology
search=any free text,

Retrieves list of reports, related to the model, specified by any of the parameter URI

*) see: QMRF reports can edited with the modified QMRF-Editor, see


HTTP status codes

Interpretation Nr Name
Success 200 OK
Report type / report not found 404 Not Found
Illegal params 400 Bad request
Error creating the report
500 Internal Server Error




[Under discussion] RDF-XML format of QPRF Reports


Q(P/M)RF reports subclass the existing ot:Report thus providing a uniform approach to the reporting API. Other types of reports are also classified under ot:Report apart from ot:ErrorReport which is disjoint with ot:Report. The modifications of the OpenTox ontology described below are included in a draft OWL file that was developed using Protege.

Extensions of current ontology


Certain modofications of the current OpenTox ontology are needed in order to provide meaningful QPRF and QMRF report representations in RDF format. These will be the basis of reporting services and the main file format used by the QPRF editor which is currently developed by NTUA (see Q-edit).


Ontological Classes: QPRF reports (as well as QMRF ones) subclass ot:Report. Another set of ontological classes has to be introduced in the OpeTox ontology; namely ot:Relation which is subclasses ot:CompoundRelation which in turn subclasses ot:StructuralRelation

. This way, relations between compounds, and in general OpenTox entities can be established.   

   The class ot:AdequacyInfo is also introduced in OpenTox. It contains some adequacy information about a QPRF report as documented in section 4.x of JRC specification.  Proper datatype properties are introduced to allow one to assign attributes to instances of ot:AdequacyInfo.The additional auxiliary class ot:DomainInfo is needed in order to include information about  the domains of an AD estimation. Domain information include discussions about whether the query chemical falls in the applicability domain of the model as defined in the corresponding QMRF (section 5 of QMRF, Defining the applicability domain – OECD Principle 3). If additional software/methods were used to assess the applicability domain then they should also be documented in this section. The ontological class ot:Author can be added in the OpenTox ontology to include information about the author that created the report. Ordering of authors can be retained using rdf containers


Datatype properties: The following four datatype properties are related to the Adequacy Information of a QPRF report all having as domain the class ot:AdequacyInfo:

  1. ot:adequacyConclusion :  Provide an assessment of whether the final result is considered adequate for a regulatory conclusion, or whether additional information is required (and, if so, what this additional information should be).
  2. ot:adequacyOutcome :  Report the interpretation of the model result in relation to the defined regulatory purpose.
  3. ot:regulatoryPurpose : Explain the regulatory purpose for which the prediction described
  4. ot:regulatoryInterpretation : Describe how the predicted result is going to be interpreted in light of the specific regulatory purpose (e.g. by applying an algorithm or regulatory criteria). This may involve the need to convert the units of the dependent variable (e.g. from log molar units to mg/l). It may also involve the application of another algorithm, an assessment factor, or regulatory criteria, and the use or consideration of additional information in a weight-of-evidence assessment.

 The following datatype properties need to be included in the ontology to provide information about applicability domains:

  1. ot:descritporDomain:
  2. ot:structuralFragmentDomain
  3. ot;mechanismDomain : Discuss whether the chemical is known or considered to act according to the mechanism of action associated with the used model
  4. ot:metabolicDomain

The following datatype properties can be used to assign attributes to authors:

  1. ot:authorName
  2. ot:authorAffiliation
  3. ot:authorAddress
  4. ot:authorContact
  5. ot:email
  6. ot:authorUrl

Object Properties:

A generic object property is used to assign elements to relations of such; this it ot:relationalElement. These elements are arbitrary instances of OpenTox resources.  In QPRF reports, we need to establish relations between compounds, so ot:relationElement groups together a set of structural analogues or compounds in general.


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