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#!/usr/bin/env ruby
require_relative '../../lazar/lib/lazar'
include OpenTox
validation = Validation::TrainTest.find File.read("data/training-test-predictions.id").chomp
data = []
validation.predictions.each do |id,p|
data << [Compound.find(id).smiles, p["measurements"].median, p["value"], (p["measurements"].median-p["value"]).abs,"test-prediction"]
end
data.sort!{|a,b| a[1] <=> b[1]}
File.open(File.join("data","training-test-predictions.csv"),"w+") do |f|
f.puts ["SMILES","LOAEL_measured_median","LOAEL_predicted","Error","Dataset"].join(",")
f.puts data.collect{|r| r.join ","}.join("\n")
end
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