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Diffstat (limited to 'README.md')
-rw-r--r-- | README.md | 3 |
1 files changed, 3 insertions, 0 deletions
@@ -20,6 +20,9 @@ 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"} |