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require_relative "include.rb"
input = Dataset.from_csv_file File.join(ARGV[0])
outname = File.join(File.dirname(ARGV[0]),"#{ARGV[1]}.csv")
data = []
input.compounds.each_with_index do |cid,i|
c = Compound.find cid
# round to 5 significant digits in order to detect duplicates
v = input.data_entries[i].first.signif(5)
data << [c.smiles,v,ARGV[1]]
end
data.sort!{|a,b| a[1] <=> b[1]}
CSV.open(outname,"w+") do |csv|
csv << ["SMILES","LOAEL","Dataset"]
data.each{|r| csv << r}
end
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