Dataset · Hugging Face

scikit-fingerprints/MoleculeNet_BACE

Name: MoleculeNet_BACE
Creator: scikit-fingerprints
License: unknown
Keywords: task_categories:tabular-classification, task_categories:graph-ml, task_categories:text-classification, license:unknown, size_categories:1K<n<10K, format:csv, modality:text, library:datasets, library:pandas, library:mlcroissant, library:polars, region:us, chemistry, biology, medical

MoleculeNet BACE BACE dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict binding results for a set of inhibitors of humanβ-secretase 1 (BACE-1). Characteristic Description Tasks 1 Task type classification Total samples 1513 Recommended split scaffold Recommended metricAUROC References [1] Govindan Subramanian et al. "Computational Modeling of β-Secretase 1 (BACE-1)… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/MoleculeNet_BACE.

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Author / organization	scikit-fingerprints
License (as declared)	unknown
Downloads	2.7K (as reported by Hugging Face)
Likes	0
Created	7 July 2024
Last updated at source	18 July 2024

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