scikit-fingerprints/MoleculeNet_ToxCast
MoleculeNet ToxCast ToxCast dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict 617 toxicity targets from a large library of compounds based on in vitro high-throughput screening. 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… See the full description on the dataset page: https://huggingface.co/datasets/scikit-fingerprints/MoleculeNet_ToxCast.
| Author / organization | scikit-fingerprints |
|---|---|
| License (as declared) | unknown |
| Downloads | 2.3K (as reported by Hugging Face) |
| Likes | 0 |
| Created | 7 July 2024 |
| Last updated at source | 18 July 2024 |
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- 17 Oct 2026 Description: MoleculeNet ToxCast ToxCast dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict 617 toxicity targets from a large library of compounds based on in vitro high- → MoleculeNet ToxCast ToxCast dataset [1], part of MoleculeNet [2] benchmark. It is intended to be used through scikit-fingerprints library. The task is to predict 617 toxicity targets from a large library of compounds based on in vitro high-
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