2 Replies Latest reply on Jun 21, 2021 11:57 AM by 1316871

    New templates for Document N3 EU PPP

    1316871 New User

      Dear forum members and experts,

       

      We need to create a new report for PPP dossiers called Document N3 (Substance and metabolites; structure, codes, synonyms) using Report Generator.

       

      It should follow the structure of a table with one row per substance/metabolite and different columns indicating the general name, chemical names (IUPAC name, SMILEs, etc), chemical structure, and information about the type of study or compartment the compound has been analysed in.

       

      I see there is a common module called “common_module_active_substance_component_identity_and_composition”. Do you think it’s a good idea to start building from it? Do you have any specific suggestions on how to create the template for this type of report?

        • Re: New templates for Document N3 EU PPP
          1010496 New User

          Dear Adrian,

           

          Many thanks for your question.

           

          The IUCLID common modules are available to be re-used across different IUCLID reports for different regulatory or programme needs. The suite of common modules are managed in a central and public Github repository. More information on re-using and contributing to the common modules can be found here: common_module_introduction_guidance.dotx |OECD

           

          For your case, and the creation of Document N3 which contains information on substances and their metabolites, the common module: “common_module_active_substance_component_identity_and_composition” is ideal for extracting the key identifiers of a substance component and its composition. The common module is currently set up only for RTF/PDF report outputs.

           

          If you wish to use the two macros for extracting the reference substance of the substance and the composition of the substance, you will notice that both have the parameter:

          "activeSubstances"

          This represents a method to extract the 'active substance' components of a mixture. You can see how this method is formulated in the example 'main_report_template_modular.ftl' on the IUCLID Reports website and is meant for generation from a mixture.

           

          The parameter 'activeSubstances' is just a representative variable, however. You can pass to this parameter other keys. For example, if you wish to generate the report directly from a Substance, you can simply pass to this parameter, from your main FTL, the '_subject' key. This will then extract from the substance directly, the same reference substance identifiers from the main substance and its composition. Alternatively, if you are looking to generate a report of linked metabolites from a mixture from section 1.4.4 Information on metabolites (which is shown in the image below), you can pass to this parameter the relevant key to the linked substance components from this IUCLID Document. In effect, these linked metabolites (substances) act like the components of a mixture.

          2021-06-18_15-10-06.png

          If you are building a report of metabolites, which is generated from a Mixture, my advice would be to use the Docbook formatting to display on the <cover> page some headline information about the Mixture, and use the DocBook <table> format to list per row (as you yourself mentioned), each metabolite and its identifiers.

           

          With the Freemarker in-built <#list> function, you can #list through the metabolites which are created under section 1.4.4, and generate a Docbook row <tr> per metabolite. We have different examples of this on the IUCLID Reports webpage: Report generator - IUCLID (europa.eu)

           

          You can get the Metabolite key with this IUCLID Reporting query function:

          iuclid.getDocumentForKey

          The variable you assign to this function can be the variable you pass to the common module parameter 'activeSubstances'.

           

          Thanks for your question. If you have any further questions do not hesitate to ask. Please keep the forum updated on the progress of your report.

           

          Mark (ECHA - IUCLID - B2)