Dataset · Hugging Face

liuganghuggingface/moldata-tox21

Name: moldata-tox21
Creator: liuganghuggingface
License: mit
Keywords: task_categories:tabular-classification, license:mit, size_categories:1K<n<10K, format:parquet, modality:tabular, modality:text, library:datasets, library:pandas, library:polars, library:mlcroissant, region:us, chemistry, molecules, small-molecules, toxicity

Tox21 nuclear receptor and stress response assays Complete untransformed DeepChem source table for Tox21 nuclear receptor and stress response assays. MoleculeNet is a benchmark view of the original experimental or quantum source. Processed copy of tox21 from the molecular datasets collection. Structures are canonicalized and validated; labels are never averaged or filled. Prefer the original source for citation. Where the data comes from Original data:… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-tox21.

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Author / organization	liuganghuggingface
License (as declared)	mit
Downloads	0 (as reported by Hugging Face)
Likes	0
Created	21 October 2026
Last updated at source	21 October 2026

chemistrymoleculessmall-moleculestoxicityexperimenthigh-throughput-screenin-vitromultitask-classification

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