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Datasets:
DeepYoke
/
ToxiMol-benchmark
like
2
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DeepYoke
5
Tasks:
Tabular Classification
Tabular Regression
Modalities:
Text
Formats:
parquet
Sub-tasks:
multi-class-classification
tabular-single-column-regression
Languages:
English
Size:
< 1K
ArXiv:
arxiv:
2506.10912
Tags:
chemistry
toxicity
molecular-design
SMILES
drug-discovery
benchmark
+ 2
Libraries:
Datasets
Dask
Polars
+ 1
License:
mit
Dataset card
Data Studio
Files
Files and versions
xet
Community
1
main
ToxiMol-benchmark
20.4 MB
4 contributors
History:
75 commits
DeepYoke
Update dataset to 660 molecules (60 per task)
b2e2e77
about 2 months ago
ames
Update dataset to 660 molecules (60 per task)
about 2 months ago
carcinogens_lagunin
Update dataset to 660 molecules (60 per task)
about 2 months ago
clintox
Update dataset to 660 molecules (60 per task)
about 2 months ago
dili
Update dataset to 660 molecules (60 per task)
about 2 months ago
herg
Update dataset to 660 molecules (60 per task)
about 2 months ago
herg_central
Update dataset to 660 molecules (60 per task)
about 2 months ago
herg_karim
Update dataset to 660 molecules (60 per task)
about 2 months ago
ld50_zhu
Update dataset to 660 molecules (60 per task)
about 2 months ago
skin_reaction
Update dataset to 660 molecules (60 per task)
about 2 months ago
tox21
Update dataset to 660 molecules (60 per task)
about 2 months ago
toxcast
Update dataset to 660 molecules (60 per task)
about 2 months ago
.gitattributes
Safe
777 Bytes
Upload toxcast.parquet
9 months ago
LICENSE
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1.06 kB
Update README.md and add MIT License: simplified title/overview, added TDC hyperlink, updated dataset descriptions, removed Authors/Related Work sections, added MIT License file
10 months ago
README.md
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6.57 kB
Update dataset to 660 molecules (60 per task)
about 2 months ago
dataset_infos.json
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14.2 kB
xet
Update dataset to 660 molecules (60 per task)
about 2 months ago