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| author | Christoph Helma <helma@in-silico.ch> | 2015-10-08 10:32:31 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2015-10-08 10:32:31 +0200 |
| commit | 6bde559981fa11ffd265af708956f9d4ee6c9a89 (patch) | |
| tree | 0fdeff56c476bb2eb0e6a2af895a1e9306645904 /lib/model.rb | |
| parent | c974ddec27b8e505a8dc22a7c99f2e4b8682aa48 (diff) | |
crossvalidation plots, original classification confidence
Diffstat (limited to 'lib/model.rb')
| -rw-r--r-- | lib/model.rb | 4 |
1 files changed, 2 insertions, 2 deletions
diff --git a/lib/model.rb b/lib/model.rb index cd88e0c..98433d0 100644 --- a/lib/model.rb +++ b/lib/model.rb @@ -48,7 +48,7 @@ module OpenTox self end - def predict object + def predict object, use_database_values=true t = Time.now at = Time.now @@ -75,7 +75,7 @@ module OpenTox compounds.each_with_index do |compound,c| t = Time.new database_activities = training_dataset.values(compound,prediction_feature) - if database_activities and !database_activities.empty? + if use_database_values and database_activities and !database_activities.empty? database_activities = database_activities.first if database_activities.size == 1 predictions << {:compound => compound, :value => database_activities, :confidence => "measured", :warning => "Compound #{compound.smiles} occurs in training dataset with activity '#{database_activities}'."} next |