---
title: MoleculeNet_BBBP
description: "BBBP (Blood-Brain Barrier Penetration), part of the MoleculeNet benchmark, as packaged for scikit-fingerprints: 2,039 molecules, each labelled 1 if it crosses the blood-brain barrier and 0 if not. Both files are mirrored here in full: bbbp.csv, with the columns SMILES and label, and ogb_splits_bbbp.json, the OGB train/valid/test split as row indices (1,631 / 204 / 204)."
tags:
- admet
- biology
- chemistry
- medical
license: unknown
source_url: https://huggingface.co/datasets/scikit-fingerprints/MoleculeNet_BBBP
---

# MoleculeNet_BBBP

BBBP (Blood-Brain Barrier Penetration), part of the MoleculeNet benchmark, as packaged for scikit-fingerprints: 2,039 molecules, each labelled 1 if it crosses the blood-brain barrier and 0 if not. Both files are mirrored here in full: bbbp.csv, with the columns SMILES and label, and ogb_splits_bbbp.json, the OGB train/valid/test split as row indices (1,631 / 204 / 204).

Upstream identifier: `scikit-fingerprints/MoleculeNet_BBBP`.

**Source:** https://huggingface.co/datasets/scikit-fingerprints/MoleculeNet_BBBP

**Licence:** unknown

_This dataset is part of the Atlas demo catalogue. See the repository history for provenance._