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liuganghuggingface/moldata-toxcast

ToxCast high-throughput mechanistic toxicity assays Complete untransformed DeepChem source table for ToxCast high-throughput mechanistic toxicity assays. MoleculeNet is a benchmark view of the original experimental or quantum source. Processed copy of toxcast 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-toxcast.

Author / organizationliuganghuggingface
License (as declared)mit
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Created21 October 2026
Last updated at source21 October 2026
chemistrymoleculessmall-moleculestoxicityexperimenthigh-throughput-screenin-vitromultitask-classification
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