1.Aim of the module
Using the “Report” module, the user can generate reports on any of the predictions performed with the Toolbox. The Toolbox contains predefined report templates as well as a template editor with which users can define their own custom templates.
Report window has four main parts illustrated on Figure 1.
1 – Line with main buttons related to:
· Report repository
2 - Panel with available data to report separated in three sub-nodes. The user is able to generate report for the following three Toolbox objects:
3- Panel with available report templates. The user is able to use the predefined report templates (delivered through the system installation). Initially the system will have three predefined report templates:
·Toolbox Category Report (based on CCRF) – reports data for a single category within the system,
·Toolbox Model Report (based on TMRF) – reports data for a single model within the system,
·Toolbox Prediction Report (based on TPRF) – reports data for a single prediction within the system.
4 –Panel with generated Toolbox report
3.Explanation of Report buttons
3.1.Create – this button generates report for the selected Toolbox object: prediction/QSAR or defined category according to the selected report template.
· Create Prediction report – In order to create a report the user needs to select the prediction (1) from the list of predictions, select the report template corresponding to the selected data (i.e. the layout for representing the selected data) (2) and click the Create (3) button. (Figure 2)
Only after both prediction and the reporting template are selected, the “Create” button becomes active and the user may build a report (Figure 2).
There are two types of reporting templates – “standard” and “user-defined”. Standard templates were developed in cooperation with OECD and ECHA and were accepted as a standard for reporting the related information (TPRF, CCRF, QMRF). These are the templates that the system uses by default and their design cannot be modified by the user. User-defined templates are the ones that are available for editing and if needed, the user can modify their design.
After clicking the Create button a message “Generating report” (1) appears (Figure 3).
This process finished with generated report (Figure 4).
· Create QSAR report – The user has to select the desired QSAR model (1) and click Create (2). The generated model report appears in the report panel (4), based on the content of standard model reporting format (3) (Figure 5)
· Create Category report –Report (4) based on standard template for Toolbox Category Reporting format (CCRF) (3) could be generated when the user selects the defined category (1) and clicks the Create button(2) (Figure 6)
3.2.Print – this button allows the users to print the generated report (1). (Figure 7)
3.3.Close – this button closes the last selected prediction. The user has to select the prediction (1) and to then click the Close button (2) (Figure 8).
3.4. Save as – this button allows the user to save the generated report in one of the three possible formats:
· As PDF
· As HTML
· As RTF
This could be done after the user generates the desired report (1) and selects one of the available options (2) (Figure 9).
· As PDF format – generate the desired report (1), select Save as PDF (2), select destination folder for export the “.pdf” file (3) , specify the name of the file (4) and finally click OK (5) (Figure 10);
· As HTML - generate the desired report (1), select Save as HTML (2), select options for export to HTML format (3), confirm the options by OK (4), select destination folder for export of the “.html”
file (5), specify the name of the file (6) and finally click OK (7) (Figure 11);
· As RTF file - generate the desired report (1), select Save as RTF (2), select options for export to RTF format (3), confirm the options by OK (4), select destination folder for export the “.rtf” file (5), specify the name of the file (6) and finally click OK (7) (Figure 12)
4. Explanation of Report repository buttons
The report functionality of Toolbox is intended to present various parts of information available (or produced by) the system. The user is able to use the predefined report templates, as well as to design their own custom report templates. Below is a short description of buttons associated to designing of one’s own custom templates. (Figure 13)
4.1.Register button – Registers an existing report template (*.fr3) within report repository. If the specified template file does not exist then an empty report template will be created
4.2.Unregister button - Unregisters the report template from report repository, but this action does not delete the template file.
4.3.Update button – Edit report template registration. Update the registration information for the existing report template from reports repository. The changes do not affect the content of the template file (*.fr3)
4.4.Clone report template button – Creates a copy of an existing report template from the reports repository. Initially both the file content and the registration information are cloned, but after that the registration information could be edited
4.5.Design – Edit report template design. Modifies the design of an existing reports template from an existing reports repository. The changes affect the content of the template file (*.fr3) but preserves the registration information.