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-rw-r--r--lib/dataset.rb2
1 files changed, 1 insertions, 1 deletions
diff --git a/lib/dataset.rb b/lib/dataset.rb
index e0f2d5a..4816b5a 100644
--- a/lib/dataset.rb
+++ b/lib/dataset.rb
@@ -22,7 +22,7 @@ module OpenTox
CSV.generate do |csv|
csv << ["SMILES"] + @features.collect{|f| f.title}
@compounds.each_with_index do |c,i|
- csv << [c.to_smiles] + @data_entries[i]
+ csv << [c.smiles] + @data_entries[i]
end
end
end