diff options
Diffstat (limited to 'scripts/test-validation.rb')
-rwxr-xr-x | scripts/test-validation.rb | 32 |
1 files changed, 8 insertions, 24 deletions
diff --git a/scripts/test-validation.rb b/scripts/test-validation.rb index 0bbcc42..5c07449 100755 --- a/scripts/test-validation.rb +++ b/scripts/test-validation.rb @@ -1,26 +1,10 @@ -require_relative "include.rb" +#!/usr/bin/env ruby +require_relative '../../lazar/lib/lazar' +include OpenTox -test = Dataset.from_csv_file(File.join(DATA,"test.csv")) +test = Dataset.from_csv_file(File.join("data","test_log10.csv")) +train = Dataset.from_csv_file(File.join("data","training_log10.csv")) -file = File.join(DATA,ARGV[0]) -dataset = Dataset.from_csv_file file -model = Model::LazarRegression.create(dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_fingerprint_regression") -#model = Model::LazarRegression.create(dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_physchem_regression") -#model = Model::LazarRegression.create(dataset, :prediction_algorithm => "OpenTox::Algorithm::Regression.local_weighted_average") -validation = RegressionValidation.create model, dataset, test -csv_file = file.sub(".csv","-test-predictions.csv") -id_file = file.sub(".csv","-test-predictions.id") -File.open(id_file,"w+"){|f| f.puts validation.id} -name = File.basename(ARGV[0],".csv") - -data = [] -validation.predictions.each do |p| - data << [Compound.find(p[0]).smiles, p[1].median, p[2], p[3],"#{name}-prediction"] -end - -data.sort!{|a,b| a[1] <=> b[1]} - -CSV.open(csv_file,"w+") do |csv| - csv << ["SMILES","LOAEL_measured_median","LOAEL_predicted","RMSE","Dataset"] - data.each{|r| csv << r} -end +model = Model::LazarRegression.create(training_dataset: train) +validation = Validation::TrainTest.create model, train, test +puts validation.id |