scikit-fingerprints/MoleculeNet_Tox21
MoleculeNet Tox21 Tox21 dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict 12 toxicity targets, including nuclear receptors and stress response pathways. All tasks are binary. Note that targets have missing values. Algorithms should be evaluated only on present labels. For training data, you may want to impute them, e.g. with zeros. Characteristic Description Tasks 12 Task type… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/MoleculeNet_Tox21.
| Author / organization | scikit-fingerprints |
|---|---|
| License (as declared) | unknown |
| Downloads | 2.5K (as reported by Hugging Face) |
| Likes | 1 |
| Created | 7 July 2024 |
| Last updated at source | 2 February 2025 |
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- 17 Oct 2026 Description: MoleculeNet Tox21 Tox21 dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict 12 toxicity targets, including nuclear receptors and stress response pathways. All → MoleculeNet Tox21 Tox21 dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict 12 toxicity targets, including nuclear receptors and stress response pathways. All
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