# QSAR-Report QMRF and QPRF reporting extension to OpenTox ruby modules and lazar. ## About Class for QMRF and QPRF reporting. * QMRF: Provides a ruby OpenTox class to prepare an initial version of a QMRF report. The XML output is in QMRF version 1.3 and can be finalized with the QMRF editor 2.0 (https://sourceforge.net/projects/qmrf/) * QPRF: Provides a ruby OpenTox class to prepare an initial version of a QPRF (version 1.1) report in JSON or HTML. ## Usage ### QMRF create a new QMRF report, add some content and show output: ```ruby require "qsar-report" # create a new report report = OpenTox::QMRFReport.new # add a title report.value "QSAR_title", "My QSAR Title" # change 6.2 'Available information for the training set' set inchi and smiles to Yes report.change_attributes "training_set_data", {:inchi => "Yes", :smiles => "Yes"} # add a publication to the publication catalog report.change_catalog :publications_catalog, :publications_catalog_1, {:title => "MyName M (2016) My Publication Title, QSAR News, 10, 14-22", :url => "http://myqsarnewsmag.dom"} # link/reference the publication to the report bibliography report.ref_catalog :bibliography, :publications_catalog, :publications_catalog_1 # output puts report.to_xml # validate a report (as created above) against qmrf.xsd report.validate ``` ### QPRF create a new QPRF report, add some content and show output: ```ruby require "qsar-report" # create a new QPRF report instance report = OpenTox::QPRFReport.new # Set Title of the report report.Title = "My QPRF Report" # Set Version report.Version = "1" # Set Date report.Date = Time.now.strftime("%Y/%m/%d") # Set the CAS number in chapter 1.1 report.value "1.1", "7732-18-5" # set CAS number for H²O # print HTML version puts report.to_html # print formated JSON version puts report.pretty_json ``` Installation ------------ gem install qsar-report Documentation ------------- * [RubyDoc.info Code documentation](http://www.rubydoc.info/gems/qsar-report) * For full information on QSAR reporting see: [JRC QSAR Model Database and QSAR Model Reporting Formats](https://eurl-ecvam.jrc.ec.europa.eu/databases/jrc-qsar-model-database-and-qsar-model-reporting-formats) Copyright --------- Copyright (c) 2016 Christoph Helma, Micha Rautenberg, Denis Gebele. See LICENSE for details. Lazar QMRF Example ------------------ Here is an advanced example of the usage of the gem in lazar code: {include:file:example/example.rb}