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

Mode	Name	Size
-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--	common.csv	3769	log plain
-rw-r--r--	functional-groups-reduced.csv	684	log plain
-rw-r--r--	functional-groups-reduced4R.csv	2603	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.csv~	30035	log plain
-rw-r--r--	mazzatorta.json	113	log plain
-rw-r--r--	median-correlation.csv	5678	log plain
-rw-r--r--	misclassifications.csv	771	log plain
-rw-r--r--	swiss.csv	26202	log plain
-rw-r--r--	swiss.csv~	26202	log plain
-rw-r--r--	swiss.json	113	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--	test.csv~	19854	log plain
-rw-r--r--	test.json	113	log plain
-rw-r--r--	training-cv-0.csv	43647	log plain
-rw-r--r--	training-cv-0.id	25	log plain
-rw-r--r--	training-cv-1.csv	43837	log plain
-rw-r--r--	training-cv-1.id	25	log plain
-rw-r--r--	training-cv-2.csv	44108	log plain
-rw-r--r--	training-cv-2.id	25	log plain
-rw-r--r--	training-test-predictions.csv	15397	log plain
-rw-r--r--	training-test-predictions.id	25	log plain
-rw-r--r--	training.csv~	53626	log plain
-rw-r--r--	training.json	113	log plain