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require 'csv'
csv = []
exclude = [
%{Acetal},
"Anion",
%r{_bond},
%{_carbon},
"Charged",
%{Hetero_},
%{_rings},
"Kation",
%{NOS},
"Salt",
"Spiro",
%{Sugar}
]
CSV.foreach("data/functional-groups.csv") do |row|
keep = true
exclude.each do |patt|
keep = false if row[0].match(patt)
end
if keep and [row[1].to_i,row[2].to_i].max >= 25
csv << [row[0].gsub('_',' '),row[1].to_i,"Mazzatorta"]
csv << [row[0].gsub('_',' '),row[2].to_i,"Swiss Federal Office"]
else
p row
end
end
File.open("data/functional-groups-reduced4R.csv","w+"){|f| f.puts csv.collect{|r| r.join ", "}.join("\n")}
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