From a4e50a68761b5edc885fe1855b5022a3724f1698 Mon Sep 17 00:00:00 2001 From: rautenberg Date: Wed, 14 Sep 2016 14:20:44 +0200 Subject: add section 6.1-4' --- lib/report.rb | 14 +++++++++++++- 1 file changed, 13 insertions(+), 1 deletion(-) diff --git a/lib/report.rb b/lib/report.rb index 6f6cc9e..eb77446 100644 --- a/lib/report.rb +++ b/lib/report.rb @@ -122,12 +122,24 @@ get "/report/:id/?" do report.value "app_domain_method", "see Helma 2006 and Maunz 2008" # Software name and version for applicability domain assessment 5.3 - report.change_catalog :software_catalog, :software_catalog_3, {:name => "lazar, submitted version: #{lazar_commit}", :description => "integrated into main lazar algorithm", :number => "2", :url => "https://lazar.in-silico.ch", :contact => "info@in-silico.ch"} + report.change_catalog :software_catalog, :software_catalog_3, {:name => "lazar, submitted version: #{lazar_commit}", :description => "integrated into main lazar algorithm", :number => "3", :url => "https://lazar.in-silico.ch", :contact => "info@in-silico.ch"} report.ref_catalog :app_domain_software, :software_catalog, :software_catalog_3 # Limits of applicability 5.4 report.value "applicability_limits", "Predictions with low confidence index, unknown substructures and neighbors that might act by different mechanisms" + # Availability of the training set 6.1 + report.change_attributes "training_set_availability", {:answer => "Yes"} + + # Available information for the training set 6.2 + report.change_attributes "training_set_data", {:cas => "Yes", :chemname => "Yes", :formula => "Yes", :inchi => "Yes", :mol => "Yes", :smiles => "Yes"} + + # Data for each descriptor variable for the training set 6.3 + report.change_attributes "training_set_descriptors", {:answer => "No"} + + # Data for the dependent variable for the training set 6.4 + report.change_attributes "dependent_var_availability", {:answer => "All"} + # output response['Content-Type'] = "application/xml" return report.to_xml -- cgit v1.2.3