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Datasets:
HydroSophyTech
/
ToxiMol-benchmark

Tasks:
Tabular Classification
Tabular Regression
Sub-tasks:
multi-class-classification
tabular-single-column-regression
Languages:
English
Size:
1K<n<10K
ArXiv:
Tags:
chemistry
toxicity
molecular-design
SMILES
drug-discovery
benchmark
DOI:
License:
Dataset card Files Files and versions
xet
Community
1
ToxiMol-benchmark
20.4 MB
  • 4 contributors
History: 76 commits
feilin-must's picture
feilin-must
Update README.md
dedfdb2 verified about 2 months ago
  • ames
    Update dataset to 660 molecules (60 per task) 6 months ago
  • carcinogens_lagunin
    Update dataset to 660 molecules (60 per task) 6 months ago
  • clintox
    Update dataset to 660 molecules (60 per task) 6 months ago
  • dili
    Update dataset to 660 molecules (60 per task) 6 months ago
  • herg
    Update dataset to 660 molecules (60 per task) 6 months ago
  • herg_central
    Update dataset to 660 molecules (60 per task) 6 months ago
  • herg_karim
    Update dataset to 660 molecules (60 per task) 6 months ago
  • ld50_zhu
    Update dataset to 660 molecules (60 per task) 6 months ago
  • skin_reaction
    Update dataset to 660 molecules (60 per task) 6 months ago
  • tox21
    Update dataset to 660 molecules (60 per task) 6 months ago
  • toxcast
    Update dataset to 660 molecules (60 per task) 6 months ago
  • .gitattributes
    777 Bytes
    Upload toxcast.parquet about 1 year ago
  • LICENSE
    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 about 1 year ago
  • README.md
    6.81 kB
    Update README.md about 2 months ago
  • dataset_infos.json
    14.2 kB
    xet
    Update dataset to 660 molecules (60 per task) 6 months ago