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author | davor <vorgrimmlerdavid@gmx.de> | 2011-12-01 13:13:59 +0100 |
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committer | davor <vorgrimmlerdavid@gmx.de> | 2011-12-01 13:27:44 +0100 |
commit | 77717b7e8ec648cac15cb477bdce5d3993d8f217 (patch) | |
tree | 575cca8d812fee41154a151fa083035b4397b3c3 | |
parent | 20cff56d93b10962ee21577d0a25fc7b5e6907b5 (diff) |
Updated lazar prediction values due to commit a6b4f42437b98e7e20d719f9665b97243dddaa4d (Removing Gauss kernel)
-rw-r--r-- | lazar.rb | 14 |
1 files changed, 7 insertions, 7 deletions
@@ -65,8 +65,8 @@ class LazarTest < Test::Unit::TestCase def test_create_regression_model create_model :dataset_uri => @@regression_training_dataset.uri predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN") - assert_in_delta @predictions.first.value(@compounds.first), 1.095, 0.1 - assert_equal 0.453.round_to(3), @predictions.first.confidence(@compounds.first).round_to(3) + assert_in_delta @predictions.first.value(@compounds.first), 0.517, 0.1 + assert_equal 0.61.round_to(3), @predictions.first.confidence(@compounds.first).round_to(3) assert_equal 253, @predictions.first.neighbors(@compounds.first).size cleanup end @@ -74,7 +74,7 @@ class LazarTest < Test::Unit::TestCase def test_create_regression_prop_model create_model :dataset_uri => @@regression_training_dataset.uri, :local_svm_kernel => "propositionalized" predict_compound OpenTox::Compound.from_smiles("c1ccccc1NN") - assert_equal 0.453.round_to(3), @predictions.first.confidence(@compounds.first).round_to(3) + assert_equal 0.61.round_to(3), @predictions.first.confidence(@compounds.first).round_to(3) assert_equal 253, @predictions.first.neighbors(@compounds.first).size assert_equal 131, @model.features.size cleanup @@ -91,7 +91,7 @@ class LazarTest < Test::Unit::TestCase # assertions # single prediction assert_equal "false", @predictions[0].value(@compounds[0]) - assert_equal 0.2938.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) + assert_equal 0.3383.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) assert_equal 16, @predictions[0].neighbors(@compounds[0]).size # dataset activity assert !@predictions[1].measured_activities(@compounds[1]).empty? @@ -103,7 +103,7 @@ class LazarTest < Test::Unit::TestCase assert_equal "true", @predictions[2].measured_activities(c).first.to_s c = OpenTox::Compound.from_smiles("c1ccccc1NN") assert_equal "false", @predictions[2].value(c) - assert_equal 0.2938.round_to(4) , @predictions[2].confidence(c).round_to(4) + assert_equal 0.3383.round_to(4) , @predictions[2].confidence(c).round_to(4) # model assert_equal 41, @model.features.size cleanup @@ -116,7 +116,7 @@ class LazarTest < Test::Unit::TestCase predict_dataset OpenTox::Dataset.create_from_csv_file("data/multicolumn.csv", @@subjectid) assert_equal "false", @predictions[0].value(@compounds[0]) - assert_equal 0.3952.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) + assert_equal 0.5587.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) assert_equal 16, @predictions[0].neighbors(@compounds[0]).size c = OpenTox::Compound.from_smiles("c1ccccc1NN") @@ -135,7 +135,7 @@ class LazarTest < Test::Unit::TestCase assert_equal "false", @predictions[0].value(@compounds[0]) #assert_equal 0.2938.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) - assert_equal 0.3952.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) + assert_equal 0.5587.round_to(4), @predictions[0].confidence(@compounds[0]).round_to(4) assert_equal 16, @predictions[0].neighbors(@compounds[0]).size c = OpenTox::Compound.from_smiles("c1ccccc1NN") |