data - loael-paper - Data and experiments for the manuscript https://doi.org/10.3389/fphar.2018.00413

Mode	Name	Size
-rw-r--r--	50cv.csv	468	log plain
-rw-r--r--	50cv.ids	1250	log plain
-rw-r--r--	Copy of NOAEL-LOAEL - rat_chron.csv	142776	log plain
-rw-r--r--	Copy of NOAEL-LOAEL.xlsx	245908	log plain
-rw-r--r--	LOAEL_mg_corrected_smiles_mmol.csv	31930	log plain
-rw-r--r--	LOAEL_mg_corrected_smiles_mmol.json	113	log plain
-rw-r--r--	NOAEL-LOAEL_SMILES_rat_chron.csv	144139	log plain
-rw-r--r--	NOAEL-LOAEL_dv.xlsx	325917	log plain
-rw-r--r--	SMARTS_InteLigand.txt	39230	log plain
-rw-r--r--	all_mg_dup.csv	8438	log plain
-rw-r--r--	functional-groups-reduced.csv	684	log plain
-rw-r--r--	functional-groups-reduced4R.csv	1863	log plain
-rw-r--r--	functional-groups-smarts.csv	2031	log plain
-rw-r--r--	functional-groups.csv	3114	log plain
-rw-r--r--	functional-groups.txt	23824	log plain
-rw-r--r--	functional-groups.yaml	24747	log plain
-rw-r--r--	mazzatorta.csv	30035	log plain
-rw-r--r--	mazzatorta_log10.csv	29801	log plain
-rw-r--r--	mazzatorta_mg_dup.csv	8438	log plain
-rw-r--r--	median-correlation.csv	7656	log plain
-rw-r--r--	misclassifications.csv	17	log plain
-rw-r--r--	predictions-measurements.csv	26354	log plain
-rw-r--r--	swiss.csv	26202	log plain
-rw-r--r--	swissRat_chron_LOAEL_mmol.csv	31086	log plain
-rw-r--r--	swissRat_chron_LOAEL_mmol.json	113	log plain
-rw-r--r--	swiss_log10.csv	28394	log plain
-rw-r--r--	swiss_mg_dup.csv	8538	log plain
-rw-r--r--	test_log10.csv	23761	log plain
-rw-r--r--	test_log10_database_fix.csv	22658	log plain
-rw-r--r--	training-test-predictions.csv	13092	log plain
-rw-r--r--	training-test-predictions.id	25	log plain
-rw-r--r--	training_log10-cv.csv	53214	log plain
-rw-r--r--	training_log10.csv	64221	log plain