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authordavor <vorgrimmlerdavid@gmx.de>2011-12-01 13:13:59 +0100
committerdavor <vorgrimmlerdavid@gmx.de>2011-12-01 13:27:44 +0100
commit77717b7e8ec648cac15cb477bdce5d3993d8f217 (patch)
tree575cca8d812fee41154a151fa083035b4397b3c3
parent20cff56d93b10962ee21577d0a25fc7b5e6907b5 (diff)
Updated lazar prediction values due to commit a6b4f42437b98e7e20d719f9665b97243dddaa4d (Removing Gauss kernel)
-rw-r--r--lazar.rb14
1 files changed, 7 insertions, 7 deletions
diff --git a/lazar.rb b/lazar.rb
index 5a20972..6aa8239 100644
--- a/lazar.rb
+++ b/lazar.rb
@@ -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")