Automated Validation Report Generation with OpenTox

OpenTox is supporting the development of reporting capabilities for the generation and presentation of results of alternative testing methods including validation and reporting results of relevance to REACH[1]. The OpenTox report generating component generates reports to present the results of predictions and (Quantitative) Structure Activity Relationship ((Q)SAR) model validations to the user in a structured reporting format. OpenTox reporting formats are guided by standards, templates such as (Q)SAR Model Reporting Format (QMRF) and the (Q)SAR Prediction Reporting Format (QPRF)[2], and OECD validation principles, which specify that to facilitate the consideration of acceptance of a (Q)SAR model for regulatory purposes, it needs to be associated with the OECD Guidelines for (Q)SAR Validation[3].

The OpenTox report on Automated Validation Report Generation available at http://www.opentox.org/data/documents/development/opentoxreports/opentoxreportd52 describes and documents the initial progress which has been achieved within OpenTox with respect to the creation of automated reporting facilities for validated (Q)SAR models of predictive toxicology data. Within the OpenTox framework, we have defined an Application Programming Interface (API) for the (Q)SAR reporting web service as part of the OpenTox validation API (opentox.org/dev/apis). We have established web services to automatically generate QMRF reports, which summarize key information on (Q)SAR-based predictive toxicology models, including the results of any validation studies, structured according to the OECD (Q)SAR validation principles. The user may subsequently edit the reports using a QMRF Editor. OpenTox services have also been developed for the generation of QPRF reports for validated toxicology predictions. A QPRF Editor for the manual annotation of automatically generated QPRF reports has been developed. Both editors are implemented as standalone applications that can also be started with a web browser. The actual creation of the reports uses a separate OpenTox web service running in the background.  

The initial OpenTox reporting web services support rapid generation of REACH relevant documents in the form of standardized reports for (Q)SAR-based predictive toxicology models and their predictions. The reporting web services allow for the downloading and uploading of reports which may be saved locally or online, enabling the collaborative editing and sharing of reports. The reporting services should allow all current and future OpenTox applications to easily create and access reports on validated predictive toxicology models, which with the addition of authorization and authentication can include the use of confidential resources.