diff options
| author | Christoph Helma <helma@in-silico.ch> | 2020-10-13 11:25:51 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2020-10-13 11:25:51 +0200 |
| commit | 59509099257225b068a13626d3a42eac2f4244ab (patch) | |
| tree | fd1ad3fbbaa96d5926e1bc2ef8a15146f7660b56 /models/mutagenicity-padel | |
| parent | 791398c12af4f8290095425dac87e3c852905ab6 (diff) | |
mutagenicity downloads moved, PaDEL metadata
Diffstat (limited to 'models/mutagenicity-padel')
| -rw-r--r-- | models/mutagenicity-padel/Makefile | 20 | ||||
| -rw-r--r-- | models/mutagenicity-padel/metadata.json | 1 |
2 files changed, 19 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" > $@ diff --git a/models/mutagenicity-padel/metadata.json b/models/mutagenicity-padel/metadata.json new file mode 100644 index 0000000..fdff200 --- /dev/null +++ b/models/mutagenicity-padel/metadata.json @@ -0,0 +1 @@ +{"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"}} |