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-rwxr-xr-xscripts/misclassifications.rb12
1 files changed, 7 insertions, 5 deletions
diff --git a/scripts/misclassifications.rb b/scripts/misclassifications.rb
index 171077c..d285868 100755
--- a/scripts/misclassifications.rb
+++ b/scripts/misclassifications.rb
@@ -1,4 +1,6 @@
-require_relative 'include.rb'
+#!/usr/bin/env ruby
+require_relative '../../lazar/lib/lazar'
+include OpenTox
class Range
def intersection(other)
@@ -9,21 +11,21 @@ class Range
end
experimental = {}
-CSV.foreach(File.join(DATA,"test.csv")) do |row|
+CSV.foreach(File.join("data","test_log10.csv")) do |row|
experimental[row[0]] ||= []
experimental[row[0]] << row[1].to_f
end
predictions = {}
-CSV.foreach(File.join(DATA,"training-test-predictions.csv"),:headers => true) do |row|
- predictions[row[0]] = [-Math.log10(row[2].to_f),Math.log10(row[3].to_f).abs]
+CSV.foreach(File.join("data","training-test-predictions.csv"),:headers => true) do |row|
+ predictions[row[0]] = [row[2].to_f,row[3].to_f.abs]
end
outside_experimental_values = 0
within_experimental_values = 0
out = []
predictions.each do |smi,pred|
- exp = experimental[smi].collect{|e| -Math.log10(e)}.uniq
+ exp = experimental[smi].uniq
# https://en.wikipedia.org/wiki/Prediction_interval
min = pred[0]-1.96*pred[1]
max = pred[0]+1.96*pred[1]