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

Mode	Name	Size
-rwxr-xr-x	all_mg_dup.rb	944	log plain
-rwxr-xr-x	correct-predictions.R	26	log plain
-rwxr-xr-x	create-median-correlation.rb	897	log plain
-rwxr-xr-x	create-testset.rb	951	log plain
-rwxr-xr-x	create-trainingset.rb	955	log plain
-rwxr-xr-x	crossvalidation-plots.R	578	log plain
-rwxr-xr-x	crossvalidation-table.rb	807	log plain
-rwxr-xr-x	crossvalidation.rb	529	log plain
-rwxr-xr-x	dataset-variability.R	500	log plain
-rwxr-xr-x	functional-groups-images.rb	903	log plain
-rwxr-xr-x	functional-groups-smarts.rb	341	log plain
-rwxr-xr-x	functional-groups.R	356	log plain
-rwxr-xr-x	functional-groups.rb	903	log plain
-rwxr-xr-x	functional-groups4R.rb	630	log plain
-rwxr-xr-x	mazzatorta-unique-smiles.rb	567	log plain
-rwxr-xr-x	mazzatorta_mg_dup.rb	581	log plain
-rwxr-xr-x	median-correlation-plot.R	365	log plain
-rwxr-xr-x	misclassification-predictions.rb	829	log plain
-rwxr-xr-x	misclassifications.rb	1693	log plain
-rwxr-xr-x	noael_loael2mmol.rb	627	log plain
-rwxr-xr-x	noael_loael2swiss_mg_dup.rb	618	log plain
-rwxr-xr-x	prediction-test-correlation-plot.R	550	log plain
-rwxr-xr-x	test-prediction-plot.R	539	log plain
-rwxr-xr-x	test-prediction.R	534	log plain
-rwxr-xr-x	test-prediction.rb	833	log plain
-rwxr-xr-x	test-validation-results.rb	707	log plain
-rwxr-xr-x	testset-validation.rb	532	log plain