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-rw-r--r--fminer.rb2
1 files changed, 1 insertions, 1 deletions
diff --git a/fminer.rb b/fminer.rb
index 81725cd..00d11a0 100644
--- a/fminer.rb
+++ b/fminer.rb
@@ -334,7 +334,7 @@ post '/fminer/last/?' do
training_dataset.data_entries.each do |compound,entry|
begin
- smiles = OpenTox::Compound.new(compound.to_s).to_smiles
+ smiles = OpenTox::Compound.smiles(compound.to_s)
rescue
LOGGER.warn "No resource for #{compound.to_s}"
next