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Diffstat (limited to 'paper/test-validation.rb')
-rw-r--r-- | paper/test-validation.rb | 24 |
1 files changed, 24 insertions, 0 deletions
diff --git a/paper/test-validation.rb b/paper/test-validation.rb new file mode 100644 index 0000000..b748a8d --- /dev/null +++ b/paper/test-validation.rb @@ -0,0 +1,24 @@ +require_relative "include.rb" + +test = Dataset.from_csv_file(File.join(DATA,"common-test.csv")) + +file = File.join(DATA,ARGV[0]) +dataset = Dataset.from_csv_file file +model = Model::LazarRegression.create dataset +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","Confidence","Dataset"] + data.each{|r| csv << r} +end |