NovoMCP Open Corpus (lite): 122M compounds
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资源简介：
122,454,458 PubChem compounds with RDKit physicochemical descriptors, TDC-benchmark ADMET predictions, and PAINS structural-alert flags. Lite variant. Computed properties and model predictions for research use — not experimental measurements or regulatory determinations. See dataset-card.md.
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Zenodo创建时间：
2026-07-31
