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author | Christoph Helma <helma@in-silico.ch> | 2016-11-11 17:19:13 +0100 |
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committer | Christoph Helma <helma@in-silico.ch> | 2016-11-11 17:19:13 +0100 |
commit | 99c42f76b02f9084d0757eb0c52b4a55fa295a95 (patch) | |
tree | cc878fc809858e7acd03c5d1ec5504ee0331ed05 /test/model-validation.rb | |
parent | b6116bc4705066da30668ff3370f3b1c307e44e7 (diff) |
p-chem regression and enm import fixed
Diffstat (limited to 'test/model-validation.rb')
-rw-r--r-- | test/model-validation.rb | 19 |
1 files changed, 19 insertions, 0 deletions
diff --git a/test/model-validation.rb b/test/model-validation.rb new file mode 100644 index 0000000..83986d6 --- /dev/null +++ b/test/model-validation.rb @@ -0,0 +1,19 @@ +require_relative "setup.rb" + +class ValidationModelTest < MiniTest::Test + + def test_validation_model + m = Model::Validation.from_csv_file "#{DATA_DIR}/hamster_carcinogenicity.csv" + [:endpoint,:species,:source].each do |p| + refute_empty m[p] + end + assert m.classification? + refute m.regression? + m.crossvalidations.each do |cv| + assert cv.accuracy > 0.74, "Crossvalidation accuracy (#{cv.accuracy}) should be larger than 0.75. This may happen due to an unfavorable training/test set split." + end + prediction = m.predict Compound.from_smiles("CCCC(NN)C") + assert_equal "true", prediction[:value] + m.delete + end +end |