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zpn/
bace_classification

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	Dataset Card for bace_classification




	
	Dataset Summary

bace_classification is a dataset included in MoleculeNet. This dataset consists of qualitative (binary label) binding binding results for a set of inhibitors of human β-secretase 1(BACE-1).

	Dataset Structure




	
	Data Fields

Each split contains

smiles: the SMILES representation of a molecule selfies: the SELFIES representation of a molecule target: the binary label binding results

Data Splits… See the full description on the dataset page: https://huggingface.co/datasets/zpn/bace_classification.