woongworks/biogen-adme-ml-ready-preview

Biogen ADME ML-Ready — 150-row preview 150 evenly spaced rows of the full 3,521-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. 3,521 drug-like compounds measured by Biogen in six in-vitro ADME assays (HLM/RLM clearance, solubility pH 6.8, MDR1-MDCK efflux, human/rat plasma protein binding), cleaned with canonical SMILES, InChIKey, Murcko scaffold, random and scaffold splits (80/10/10… See the full description on the dataset page: https://huggingface.co/datasets/woongworks/biogen-adme-ml-ready-preview.

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