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authorChristoph Helma <helma@in-silico.ch>2019-09-07 18:20:10 +0200
committerChristoph Helma <helma@in-silico.ch>2019-09-07 18:20:10 +0200
commit791398c12af4f8290095425dac87e3c852905ab6 (patch)
tree608ff890a49641ff196b00f1326555da975d3e1b /models
parenta35be3d59a513701f8822af5b56510647d8d531c (diff)
obsolete data and java directories deleted
Diffstat (limited to 'models')
-rw-r--r--models/mutagenicity-padel/GenoTox-database.csv8081
-rw-r--r--models/mutagenicity-padel/Makefile20
-rw-r--r--models/mutagenicity-padel/crossvalidation/0/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/0/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/0/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/0/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/0/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/0/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/0/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/0/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/1/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/1/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/1/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/1/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/1/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/1/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/1/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/1/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/2/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/2/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/2/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/2/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/2/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/2/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/2/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/2/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/3/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/3/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/3/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/3/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/3/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/3/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/3/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/3/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/4/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/4/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/4/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/4/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/4/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/4/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/4/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/4/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/5/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/5/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/5/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/5/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/5/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/5/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/5/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/5/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/6/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/6/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/6/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/6/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/6/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/6/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/6/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/6/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/7/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/7/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/7/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/7/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/7/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/7/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/7/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/7/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/8/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/8/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/8/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/8/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/8/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/8/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/8/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/8/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/9/test/classification808
-rw-r--r--models/mutagenicity-padel/crossvalidation/9/test/dependent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/9/test/independent_variables808
-rw-r--r--models/mutagenicity-padel/crossvalidation/9/train/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/9/train/dependent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/9/train/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/crossvalidation/9/train/independent_variables7272
-rw-r--r--models/mutagenicity-padel/crossvalidation/9/train/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/crossvalidation/confusion_matrices/all2
-rw-r--r--models/mutagenicity-padel/crossvalidation/confusion_matrices/high_confidence2
-rw-r--r--models/mutagenicity-padel/crossvalidation/confusion_matrices/low_confidence2
-rw-r--r--models/mutagenicity-padel/crossvalidation/summaries/all5
-rw-r--r--models/mutagenicity-padel/crossvalidation/summaries/high_confidence5
-rw-r--r--models/mutagenicity-padel/crossvalidation/summaries/low_confidence5
-rw-r--r--models/mutagenicity-padel/dependent_variable_name1
-rw-r--r--models/mutagenicity-padel/dependent_variable_type1
-rw-r--r--models/mutagenicity-padel/dependent_variable_values2
-rw-r--r--models/mutagenicity-padel/dependent_variables8080
-rw-r--r--models/mutagenicity-padel/ids8080
-rw-r--r--models/mutagenicity-padel/independent_variable_names1
-rw-r--r--models/mutagenicity-padel/independent_variable_type1
-rw-r--r--models/mutagenicity-padel/independent_variables8080
-rw-r--r--models/mutagenicity-padel/means1
-rw-r--r--models/mutagenicity-padel/similarity_thresholds2
-rw-r--r--models/mutagenicity-padel/standard_deviations1
-rw-r--r--models/mutagenicity/Makefile50
-rw-r--r--models/mutagenicity/download/cas_4337.sdf306261
-rw-r--r--models/mutagenicity/download/efsa.xlsbin0 -> 11981312 bytes
-rwxr-xr-xmodels/mutagenicity/download/efsa_classification.rb28
-rw-r--r--models/mutagenicity/download/hansen_convert.rb12
-rw-r--r--models/mutagenicity/download/kazius.csv4338
-rw-r--r--models/mutagenicity/download/merge.rb23
-rw-r--r--models/mutagenicity/parts/cas_4337.sdf306261
-rw-r--r--models/mutagenicity/parts/cas_4337.zipbin0 -> 1793634 bytes
-rw-r--r--models/mutagenicity/parts/efsa.csv1
-rw-r--r--models/mutagenicity/parts/efsa.tsv0
-rw-r--r--models/mutagenicity/parts/efsa.xlsbin0 -> 11981312 bytes
-rw-r--r--models/mutagenicity/parts/hansen-original.csv6513
-rw-r--r--models/mutagenicity/parts/hansen.csv6513
-rw-r--r--models/mutagenicity/parts/toxicity_data.xlsxbin0 -> 67506 bytes
114 files changed, 832090 insertions, 2 deletions
diff --git a/models/mutagenicity-padel/GenoTox-database.csv b/models/mutagenicity-padel/GenoTox-database.csv
new file mode 100644
index 0000000..e4f443f
--- /dev/null
+++ b/models/mutagenicity-padel/GenoTox-database.csv
@@ -0,0 +1,8081 @@
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