NovoMCP Open Corpus (lite): 122M compounds
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资源简介：
122,454,458 PubChem compounds with RDKit physicochemical descriptors, ADMET/toxicity predictions from NovoMCP's own models (most trained on the public Therapeutics Data Commons ADMET benchmark; a few base heads on other public toxicology data), and PAINS structural-alert flags. Lite variant. Screening-grade model estimates for research use, not experimental measurements or regulatory determinations. See dataset-card.md.
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Zenodo创建时间：
2026-08-09
