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("OCC(CN(CC(O)C)N=O)O") assert_equal "true", prediction[:value] m.delete end end