woongworks/herg-ncgc-ml-ready-preview
PubChem hERG (NCGC qHTS, AID 588834) ML-Ready — 150-row preview 150 evenly spaced rows of the full 4,568-row ML-ready table. Same columns as the full table, including split labels. Use it to inspect the format; it is too small for benchmarking. 4,568 unique parent structures from the NIH/NCGC quantitative high-throughput hERG screen (PubChem AID 588834, thallium-flux assay), with replicate-merged binary inhibitor labels, pAC50 for actives, standardized parent SMILES, InChIKey… See the full description on the dataset page: https://huggingface.co/datasets/woongworks/herg-ncgc-ml-ready-preview.
| Author / organization | woongworks |
|---|---|
| License (as declared) | cc-by-4.0 |
| Downloads | 0 (as reported by Hugging Face) |
| Likes | 0 |
| Created | 19 October 2026 |
| Last updated at source | 19 October 2026 |
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