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require_relative '../../lazar/lib/lazar'
include OpenTox
CSV.open("../classification/blood-brain-barrier.csv", "wb") do |csv|
CSV.read("../classification/bbp2.smi",{:col_sep => "\t"}).each do |line|
smi = line.first
act = line[-2]
p smi, act
if act =~ /p/i
csv << [smi, "penetrating"]
elsif act =~ /n/i
csv << [smi, "nonpenetrating"]
else
p "unknown act '#{act}'"
end
end
end
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