Reporting
In the “Report” module one could create a report for any of the predictions performed with the Toolbox or a report related to the consistency of the current category. Additionally report files for the chemicals in the data matrix (Data matrix report) and for the available (Q)SAR models (QMRF reports) could be generated.
In the Report section the users are able to:
Report a prediction – once the data gap of the target chemical is filled, a prediction report could be generated. One could customize the report by adding personal information, additional explanations, move up/down the sections, etc. Most of the Report Wizard pages will be automatically populated by the system.
The report for read-across predictions includes several new sections allowing easier reproducibility and interpretation of the results.
Additionally, Data matrix report is generated as a supporting file to the prediction report.
The report for predictions from (Q)SAR models is reorganized in the new QSAR Toolbox v.4.7, to address the QAF requirements.
Export the chemicals on the data matrix and related information – The Data matrix report generates an excel file including additional information on the category (i.e. the target and used analogues).
The Data matrix report could include different sheets with information depending on the user`s actions in Toolbox.
Generate QMRF – QMRF (QSAR model report format) could be generated for any of the available QSAR models in Toolbox (external (e.g. ECOSAR) or custom (Q)SAR models).
Generate a Justification document to the obtained prediction – Additional optional documents for regulatory purposes could be generated:
o Read across justification document – based on the RAAF* principles. Could be generated in case of read-across prediction;
o QSAR justification document – based on the QAF** principles. Could be generated in case of prediction by a (Q)SAR model.
Short hint with an example on what type of information could be included, is available for each of the elements.
*Read-Across Assessment Framework (RAAF) has been developed by ECHA as an internal tool providing a framework for a consistent and structured assessment of grouping and read across approaches under REACH. After selection of the appropriate RAAF scenario, a separate manually-editable file with all corresponding assessment elements (AE) will be automatically generated.
**(Q)SAR Assessment Framework (QAF) represents a systematic and harmonised framework for the regulatory assessment of (Q)SAR models, predictions, and results based on multiple predictions. Once the user selects to add a (Q)SAR justification document to their (Q)SAR model prediction, a separate manually-editable file with the relevant QAF elements will be generated.
Find out more information about RAAF here.
Find out more about QAF here.
