diff options
| author | Christoph Helma <helma@in-silico.ch> | 2020-09-30 14:44:23 +0200 |
|---|---|---|
| committer | Christoph Helma <helma@in-silico.ch> | 2020-09-30 14:44:23 +0200 |
| commit | fc6710ba085990f204fbb0e5c2d686f73811dead (patch) | |
| tree | 2fdf4d7a17eba2fa9326b663f4ed7b74a76bfc29 /Makefile | |
| parent | 70a221983448a818535239704fdd4771c151957d (diff) | |
padel tsne diagram
Diffstat (limited to 'Makefile')
| -rw-r--r-- | Makefile | 8 |
1 files changed, 7 insertions, 1 deletions
@@ -39,7 +39,7 @@ LAZAR_SUMMARIES = $(SUMMARIES_DIR)/lazar-all.json $(SUMMARIES_DIR)/lazar-high-co CONFUSION_MATRICES = $(CONFUSION_MATRICES_DIR)/R-SVM.csv $(CONFUSION_MATRICES_DIR)/R-RF.csv $(CONFUSION_MATRICES_DIR)/R-DL.csv $(CONFUSION_MATRICES_DIR)/tensorflow-all.csv $(CONFUSION_MATRICES_DIR)/tensorflow-selected.csv $(CONFUSION_MATRICES_DIR)/lazar-all.csv $(CONFUSION_MATRICES_DIR)/lazar-high-confidence.csv $(CONFUSION_MATRICES_DIR)/lazar-padel-all.csv $(CONFUSION_MATRICES_DIR)/lazar-padel-high-confidence.csv $(CONFUSION_MATRICES_DIR)/tensorflow-lr.v3.csv $(CONFUSION_MATRICES_DIR)/tensorflow-lr2.v3.csv $(CONFUSION_MATRICES_DIR)/tensorflow-nn.v3.csv $(CONFUSION_MATRICES_DIR)/tensorflow-rf.v3.csv DATA = data/mutagenicity.sdf data/mutagenicity.csv data/mutagenicity-fingerprints.csv -FIGURES = figures/roc.png figures/tsne-mp2d.png +FIGURES = figures/roc.png figures/tsne-mp2d.png figures/tsne-padel.png all: $(DATA) $(TABLES) $(FIGURES) mutagenicity.pdf include $(PANDOC_SCHOLAR_PATH)/Makefile @@ -49,6 +49,12 @@ mutagenicity.mustache.md: results.yaml mutagenicity.md $(FIGURES) mustache $^ > $@ # figures +figures/tsne-padel.png: figures/tsne-padel.csv + scripts/padel-tsne.R + +figures/tsne-padel.csv: data/GenoTox-database.csv pyrrolizidine-alkaloids/PA-Padel-2D_m2.csv + scripts/padel-descriptors.rb $^ > $@ + figures/tsne-mp2d.png: figures/tsne-mp2d.csv scripts/mp2d-tsne.R |