scikit-fingerprints/MoleculeNet_BBBP
MoleculeNet BBBP BBBP (Blood-Brain Barrier Penetration) dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict blood-brain barrier penetration (barrier permeability) of small drug-like molecules. Characteristic Description Tasks 1 Task type classification Total samples 2039 Recommended split scaffold Recommended metric AUROC References [1] Ines Filipa Martins… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/MoleculeNet_BBBP.
| Author / organization | scikit-fingerprints |
|---|---|
| License (as declared) | unknown |
| Downloads | 2.4K (as reported by Hugging Face) |
| Likes | 1 |
| Created | 7 July 2024 |
| Last updated at source | 18 July 2024 |
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- 17 Oct 2026 Description: MoleculeNet BBBP BBBP (Blood-Brain Barrier Penetration) dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict blood-brain barrier penetration (barrier permeabil → MoleculeNet BBBP BBBP (Blood-Brain Barrier Penetration) dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict blood-brain barrier penetration (barrier permeabil
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