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mutagenicity-paper
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Data and experiments for an upcoming manuscript
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figures
Mode
Name
Size
-rw-r--r--
Dehydropyrrolizidine.png
94489
log
plain
-rw-r--r--
Diester.png
95052
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plain
-rw-r--r--
Macrocyclic.diester.png
94573
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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--
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
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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
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plain
-rw-r--r--
tsne-cdk-nn-classifications.png
434861
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plain
-rw-r--r--
tsne-cdk-rf-classifications.png
447828
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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
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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
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plain
-rw-r--r--
tsne-mp2d.csv
611978880
log
plain