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liuganghuggingface/moldata-b3db_regression

TDC b3db_regression Complete TDC source table: B3DB blood-brain barrier permeability. Processed copy of b3db_regression from the molecular datasets collection. Structures are canonicalized and validated; labels are never averaged or filled. Prefer the original source for citation. Where the data comes from Original data: published with the original study Original study: A curated diverse molecular database of blood-brain barrier permeability with chemical… See the full description on the dataset page: https://huggingface.co/datasets/liuganghuggingface/moldata-b3db_regression.

Author / organizationliuganghuggingface
License (as declared)other
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Created22 October 2026
Last updated at source22 October 2026
chemistrymoleculessmall-moleculesadmeexperimentregression
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