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author | Christoph Helma <helma@in-silico.ch> | 2016-02-27 16:47:48 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-02-27 16:47:48 +0100 |
commit | b90720cc26d789a96fa6f7a054fe06fc8b4ef33d (patch) | |
tree | 3c5e28e4576b31eb66d1bc29a7c2abea38802bb3 /test/lazar-regression.rb | |
parent | e778475c578f13f30af4437845716d7e781c2609 (diff) |
local pls regression as default regression algorithmfminer
Diffstat (limited to 'test/lazar-regression.rb')
-rw-r--r-- | test/lazar-regression.rb | 15 |
1 files changed, 14 insertions, 1 deletions
diff --git a/test/lazar-regression.rb b/test/lazar-regression.rb index 9ade6d5..932b91c 100644 --- a/test/lazar-regression.rb +++ b/test/lazar-regression.rb @@ -4,7 +4,7 @@ class LazarRegressionTest < MiniTest::Test def test_weighted_average training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv" - model = Model::LazarRegression.create training_dataset, {:neighbor_algorithm_parameters => {:min_sim => 0}} + model = Model::LazarRegression.create training_dataset, {:neighbor_algorithm_parameters => {:min_sim => 0}, :prediction_algorithm => "OpenTox::Algorithm::Regression.weighted_average"} compound = Compound.from_smiles "CC(C)(C)CN" prediction = model.predict compound assert_equal 7.2, prediction[:value].round(1) @@ -35,4 +35,17 @@ class LazarRegressionTest < MiniTest::Test #assert_equal 1, prediction[:neighbors].size end + def test_local_physchem_regression + training_dataset = Dataset.from_csv_file "#{DATA_DIR}/EPAFHM.medi.csv" + model = Model::LazarRegression.create(training_dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_physchem_regression") + compound = Compound.from_smiles "NC(=O)OCCC" + prediction = model.predict compound + model.update(:prediction_algorithm => "OpenTox::Algorithm::Regression.local_pls_regression") + prediction = model.predict compound + p prediction + #assert_equal 13.6, prediction[:value].round(1) + #assert_equal 0.83, prediction[:confidence].round(2) + #assert_equal 1, prediction[:neighbors].size + end + end |