README.md

metadata

license: cdla-permissive-2.0
task_categories:
  - tabular-classification
pretty_name: Tox21_NRER
tags:
  - tabular
  - drug-discovery
  - binary
  - Biomedical
  - Benchmark
  - physiology
  - fingerprint
configs:
  - config_name: Tox21_NRER
    data_files:
      - split: train
        path: data/train.parquet
      - split: validation
        path: data/val.parquet
      - split: test
        path: data/test.parquet
dataset_info:
  description: >-
    Qualitative toxicity measurements on 12 biological targets including nuclear
    receptors and stress response pathways. Task: predict 'NR-ER'. Features:
    Morgan fingerprints (radius=2).