OECD TG_SMILES
收藏Zenodo2025-12-11 更新2026-05-26 收录
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https://zenodo.org/doi/10.5281/zenodo.17851563
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资源简介：
This dataset contains all curated data and analysis files used in the study“Comparative analysis of OECD guideline data and Tox21 assays to improve reproductive and developmental toxicity prediction.”The dataset integrates OECD TG outcomes with in vitro mechanistic information from the Tox21 program to evaluate statistical associations between DART and MIEs.
OECD TG_labeled chemical datasets (TG 414, 416, 421, 422, 443), SMILES, Tox21_MIE prediction outputs
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Zenodo创建时间：
2025-12-11
