figures - mutagenicity-paper - Data and experiments for an upcoming manuscript

Mode	Name	Size
-rw-r--r--	Dehydropyrrolizidine.png	94489	log plain
-rw-r--r--	Diester.png	95052	log plain
-rw-r--r--	Macrocyclic.diester.png	94573	log plain
-rw-r--r--	Monoester.png	95120	log plain
-rw-r--r--	N.oxide.png	95037	log plain
-rw-r--r--	Otonecine.png	93417	log plain
-rw-r--r--	PA-Schema.png	110967	log plain
-rw-r--r--	Platynecine.png	95123	log plain
-rw-r--r--	Retronecine.png	95016	log plain
-rw-r--r--	Tertiary.PA.png	94927	log plain
-rw-r--r--	image1.png	150987	log plain
-rw-r--r--	lazar-screenshot.png	72238	log plain
-rw-r--r--	pa-groups.csv	5684	log plain
-rw-r--r--	pa-groups.png	294283	log plain
-rw-r--r--	roc.csv	317	log plain
-rw-r--r--	roc.png	125597	log plain
-rw-r--r--	tsne-cdk-coordinates.csv	639743	log plain
-rw-r--r--	tsne-cdk-descriptors.csv	85641385	log plain
-rw-r--r--	tsne-cdk-lazar-all-classifications.png	450424	log plain
-rw-r--r--	tsne-cdk-lazar-high-confidence-classifications.png	360496	log plain
-rw-r--r--	tsne-cdk-lr-classifications.png	489903	log plain
-rw-r--r--	tsne-cdk-lr2-classifications.png	489988	log plain
-rw-r--r--	tsne-cdk-mutagenicity.csv	82776	log plain
-rw-r--r--	tsne-cdk-mutagenicity.png	740256	log plain
-rw-r--r--	tsne-cdk-nn-classifications.png	434861	log plain
-rw-r--r--	tsne-cdk-rf-classifications.png	447828	log plain
-rw-r--r--	tsne-cdk-svm-classifications.png	462422	log plain
-rw-r--r--	tsne-cdk.csv	85321653	log plain
-rw-r--r--	tsne-mp2d-coordinates.csv	658129	log plain
-rw-r--r--	tsne-mp2d-distances.csv	612223412	log plain
-rw-r--r--	tsne-mp2d-lazar-all-classifications.png	474481	log plain
-rw-r--r--	tsne-mp2d-lazar-high-confidence-classifications.png	392342	log plain
-rw-r--r--	tsne-mp2d-lr-classifications.png	470053	log plain
-rw-r--r--	tsne-mp2d-lr2-classifications.png	474686	log plain
-rw-r--r--	tsne-mp2d-mutagenicity.csv	85212	log plain
-rw-r--r--	tsne-mp2d-mutagenicity.png	805155	log plain
-rw-r--r--	tsne-mp2d-nn-classifications.png	473028	log plain
-rw-r--r--	tsne-mp2d-rf-classifications.png	499058	log plain
-rw-r--r--	tsne-mp2d-svm-classifications.png	465648	log plain
-rw-r--r--	tsne-mp2d.csv	611978880	log plain