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| author | Christoph Helma <helma@in-silico.ch> | 2021-06-25 12:44:49 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2021-06-25 12:44:49 +0200 |
| commit | fbeb14b83a03a2ebff3ec2f0e52b57bb6954d454 (patch) | |
| tree | b49c334a318fdf4ab565e0cdeb56cd2b5d29fa95 /models/mutagenicity-cdk/Makefile | |
| parent | 83591831c6e36c36d87159acba6afdfedab95522 (diff) | |
model validations and pa predictions addedmutagenicity-paper
Diffstat (limited to 'models/mutagenicity-cdk/Makefile')
| -rw-r--r-- | models/mutagenicity-cdk/Makefile | 10 |
1 files changed, 10 insertions, 0 deletions
diff --git a/models/mutagenicity-cdk/Makefile b/models/mutagenicity-cdk/Makefile new file mode 100644 index 0000000..2153e30 --- /dev/null +++ b/models/mutagenicity-cdk/Makefile @@ -0,0 +1,10 @@ +all: crossvalidation/summary-all.csv metadata.json + +crossvalidation/summary-all.csv: mutagenicity-mod-2.new.csv + ../../bin/lazar -t $< -x + +# 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"}}' > $@ + |