#!/usr/bin/env ruby require 'csv' require_relative '../../lazar/lib/lazar.rb' i = 0 db = {} CSV.foreach(ARGV[0]) do |row| begin if i > 0 and row[11] c = OpenTox::Compound.from_smiles(row[11]).smiles if row[24].match(/Salmonella/i) if row[25].match("TA 98") or row[25].match("TA 100") if row[33].match(/Positiv/i) db[c] = 1 # at least one positive result in TA 98 or TA 100 elsif row[33].match(/Negativ/i) db[c] ||= 0 end end end end rescue end i += 1 end dm.each do |s,v| puts [s,v].join "," end