diff options
Diffstat (limited to 'test/regression.rb')
-rw-r--r-- | test/regression.rb | 37 |
1 files changed, 35 insertions, 2 deletions
diff --git a/test/regression.rb b/test/regression.rb index 4c21450..aad4195 100644 --- a/test/regression.rb +++ b/test/regression.rb @@ -45,12 +45,45 @@ class LazarRegressionTest < MiniTest::Test end def test_local_physchem_regression - skip # TODO: fix training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi_log10.csv" - model = Model::Lazar.create(training_dataset.features.first, training_dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_physchem_regression") + algorithms = { + :descriptors => ["PhysChem::OPENBABEL"], + :similarity => { + :method => "Algorithm::Similarity.weighted_cosine", + :min => 0.5 + }, + } + model = Model::Lazar.create(training_dataset:training_dataset, algorithms:algorithms) + p model compound = Compound.from_smiles "NC(=O)OCCC" prediction = model.predict compound refute_nil prediction[:value] end + def test_local_physchem_regression_with_feature_selection + training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi_log10.csv" + algorithms = { + :descriptors => { + :method => "calculated_properties", + :types => ["OPENBABEL"] + }, + :similarity => { + :method => "Algorithm::Similarity.weighted_cosine", + :min => 0.5 + }, + :feature_selection => { + :method => "Algorithm::FeatureSelection.correlation_filter", + }, + } + model = Model::Lazar.create(training_dataset.features.first, training_dataset, algorithms) + p model + compound = Compound.from_smiles "NC(=O)OCCC" + prediction = model.predict compound + refute_nil prediction[:value] + end + + def test_local_physchem_classification + skip + end + end |