Makefile_promiscuityModel

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# (C) 2016 Tyler W. H. Backman
# Tables and figures for promiscuity probability and promiscuous binders sections
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# compute promiscuity probability for all compounds
working/promiscuityProbability.tab: src/computePromiscuityProbability.R working/cidsVStargets.RData
	$^ $@ $(cores)

# plot promiscuity distribution
working/hitratioDistribution.pdf: src/promiscuityDistributionPlot.R $(databaseFile) working/drugbank_links.csv working/highlyScreenedCids.txt working/activeCids.txt
	$^ $@

# plot promiscuity distribution
working/hitratioDistributionAggregators.pdf: src/promiscuityDistributionPlotAggregators.R $(databaseFile) working/drugbank_links.csv working/highlyScreenedCids.txt working/activeCids.txt
	$^ $@

# find pains compounds:
working/activeCompoundsPAINS.txt: src/findPAINS.py working/bioassayCompounds.sdf
	$< --infile working/bioassayCompounds.sdf --unparseable working/activeCompoundsPAINSu.txt --outfile $@ 

# fix unparseable PAINS
working/activeCompoundsPAINSuFixed.txt: src/fixUnparseablePains.R working/activeCompoundsPAINS.txt working/bioassayCompounds.sdf
	$< working/activeCompoundsPAINSu.txt working/bioassayCompounds.sdf $@

# plot promiscuity distribution
working/hitratioDistributionPAINS.pdf: src/promiscuityDistributionPlotPAINS.R $(databaseFile) working/drugbank_links.csv working/highlyScreenedCids.txt working/activeCids.txt working/activeCompoundsPAINS.txt working/activeCompoundsPAINSuFixed.txt
	$^ $@