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#!/usr/bin/env ruby
require_relative '../../lazar/lib/lazar'
include OpenTox
old = Dataset.from_csv_file File.join("data","mazzatorta_log10.csv")
new = Dataset.from_csv_file File.join("data","swiss_log10.csv")
common_compounds = (old.compounds & new.compounds).uniq
data = []
puts ["SMILES","mazzatorta","swiss"].join(",")
common_compounds.each do |c|
old_values = old.values(c,old.features.first)
new_values = new.values(c,new.features.first)
identical = old_values & new_values
unless identical.empty?
old_values -= identical
new_values -= identical
end
unless old_values.empty? or new_values.empty?
data << [c.smiles,old_values.median,new_values.median]
end
end
data.sort!{|a,b| a[1] <=> b[1]}
puts data.collect{|r| r.join ","}.join("\n")
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