diff options
| author | Christoph Helma <helma@in-silico.ch> | 2017-04-14 12:25:45 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2017-04-14 12:25:45 +0200 |
| commit | 8feada761cf87575ce037b5b8339691a7e9ae238 (patch) | |
| tree | bafc5f713fa3c2f951465ab65ac5fd82bbdc83ce /Makefile | |
| parent | 6f527daf4875ce2ed864e8a6f4f30e44b4370561 (diff) | |
inter dataset sd in mg units
Diffstat (limited to 'Makefile')
| -rw-r--r-- | Makefile | 11 |
1 files changed, 10 insertions, 1 deletions
@@ -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*"` |