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Datasets:
openadmet
/
cyp-challenge-train-test

Tasks:
Tabular Regression
Tabular Classification
Modalities:
Tabular
Text
Formats:
csv
Languages:
English
Size:
10K - 100K
Tags:
chemistry
drug-discovery
ADMET
molecular-properties
blind-challenge
computational-chemistry
DOI:
Libraries:
Datasets
pandas
Polars
License:
Dataset card Data Studio Files Files and versions
xet
Community
1
cyp-challenge-train-test
45.8 MB
Ctrl+K
Ctrl+K
  • 2 contributors
History: 14 commits
mariacm12's picture
mariacm12
Upload unblinded Emax
5ab9dd9 verified 8 days ago
  • structures_unblinded
    Add unblinded CYP3A4 structures 9 days ago
  • .gitattributes
    2.5 kB
    initial commit 3 months ago
  • README.md
    7.28 kB
    Add split for unblinded single-concentration data 8 days ago
  • cyp-challenge-TEST-BLINDED.csv
    44.9 kB
    Upload training data 3 months ago
  • cyp-challenge-TEST-BLINDED_structures.csv
    1.21 kB
    Add missing stereochemistry to structure test 20 days ago
  • cyp-challenge-TEST-UNBLINDED_Emax.csv
    304 kB
    Upload unblinded Emax 8 days ago
  • cyp-challenge-TEST-UNBLINDED_TDI.csv
    190 kB
    Unblind activity data 9 days ago
  • cyp-challenge-TEST-UNBLINDED_inhibition.csv
    182 kB
    Unblind activity data 9 days ago
  • cyp-challenge-TRAIN_Emax.csv
    1.13 MB
    Remove Cisplatin from Emax 3 months ago
  • cyp-challenge-TRAIN_TDI.csv
    1.22 MB
    Upload 6 files 3 months ago
  • cyp-challenge-TRAIN_inhibition.csv
    653 kB
    Upload 6 files 3 months ago
  • cyp-challenge-single-concentration-FULL.csv
    9.37 MB
    Upload single concentration full dataset 8 days ago
  • cyp-challenge-single-concentration-TRAIN.csv
    3.62 MB
    Upload 6 files 3 months ago