ToxBench: leakage-audited multi-task toxicology benchmark - datasets, splits, fingerprints and code
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资源简介：
Cleaned Tox21/ClinTox/SIDER datasets, Bemis–Murcko scaffold and random split indices (5 seeds), precomputed ECFP4 fingerprints, model outputs, supplementary tables/figures, and full code for the ToxBench benchmark accompanying the BMC Bioinformatics article.
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Zenodo创建时间：
2026-06-10
