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-rw-r--r--models/mutagenicity-padel/Makefile20
1 files changed, 18 insertions, 2 deletions
diff --git a/models/mutagenicity-padel/Makefile b/models/mutagenicity-padel/Makefile
index 6e04adf..ca484b8 100644
--- a/models/mutagenicity-padel/Makefile
+++ b/models/mutagenicity-padel/Makefile
@@ -1,12 +1,28 @@
LAZAR_BIN = ../../bin
-METADATA = independent_variable_type dependent_variable_type dependent_variable_values similarity_thresholds
+PARAMETERS = independent_variable_type dependent_variable_type dependent_variable_values similarity_thresholds
+
+all: crossvalidation/summaries metadata.json
+
+# Crossvalidation
+
+crossvalidation/summaries: crossvalidation
+ $(LAZAR_BIN)/classification_summary.rb crossvalidation
crossvalidation: independent_variables
- $(LAZAR_BIN)/crossvalidation.rb .
+ $(LAZAR_BIN)/classification_crossvalidation.rb .
+
+# Model
independent_variables: GenoTox-database.csv $(METADATA)
$(LAZAR_BIN)/scale_independent_variables.rb $<
+# Metadata
+
+metadata.json:
+ echo '{"species":"Salmonella typhimurium","endpoint":"Mutagenicity","source":"http://cheminformatics.org/datasets/bursi/cas_4337.zip, http://doc.ml.tu-berlin.de/toxbenchmark/Mutagenicity_N6512.csv, https://data.europa.eu/euodp/data/storage/f/2017-07-19T142131/GENOTOX data and dictionary.xls","qmrf":{"group":"QMRF 4.10. Mutagenicity","name":"OECD 471 Bacterial Reverse Mutation Test"}}' > $@
+
+# Model parameters
+
independent_variable_type:
echo "numeric" > $@