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-rw-r--r--Makefile11
1 files changed, 10 insertions, 1 deletions
diff --git a/Makefile b/Makefile
index 1781669..111fd7b 100644
--- a/Makefile
+++ b/Makefile
@@ -1,6 +1,6 @@
# Variables
-datasets = data/median-correlation.csv data/test_log10.csv data/training_log10.csv data/mazzatorta_log10.csv data/swiss_log10.csv
+datasets = data/median-correlation.csv data/test_log10.csv data/training_log10.csv data/mazzatorta_log10.csv data/swiss_log10.csv data/swiss_mg_dup.csv data/mazzatorta_mg_dup.csv data/all_mg_dup.csv
crossvalidations = data/training_log10-cv-0.csv data/training_log10-cv-1.csv data/training_log10-cv-2.csv
validations = data/training-test-predictions.csv $(crossvalidations) data/misclassifications.csv
figures = figures/functional-groups.pdf figures/test-prediction.pdf figures/prediction-test-correlation.pdf figures/dataset-variability.pdf figures/median-correlation.pdf figures/crossvalidation0.pdf figures/crossvalidation1.pdf figures/crossvalidation2.pdf
@@ -105,9 +105,18 @@ data/swiss_log10.csv: data/swiss.csv
data/mazzatorta.csv: data/LOAEL_mg_corrected_smiles_mmol.csv
scripts/mazzatorta-unique-smiles.rb data/LOAEL_mg_corrected_smiles_mmol.csv
+data/mazzatorta_mg_dup.csv: data/LOAEL_mg_corrected_smiles_mmol.csv
+ scripts/mazzatorta_mg_dup.rb data/LOAEL_mg_corrected_smiles_mmol.csv
+
data/swiss.csv: data/NOAEL-LOAEL_SMILES_rat_chron.csv
scripts/noael_loael2mmol.rb data/NOAEL-LOAEL_SMILES_rat_chron.csv
+data/swiss_mg_dup.csv: data/NOAEL-LOAEL_SMILES_rat_chron.csv
+ scripts/noael_loael2swiss_mg_dup.rb data/NOAEL-LOAEL_SMILES_rat_chron.csv
+
+data/all_mg_dup.csv: data/NOAEL-LOAEL_SMILES_rat_chron.csv data/LOAEL_mg_corrected_smiles_mmol.csv
+ scripts/all_mg_dup.rb
+
clean:
rm figures/*pdf
cd data && rm `ls -I "*LOAEL*" -I "*functional*" -I "*SMARTS*"`