Predicts activity of compounds in the Tox21 toxicity panel, comprising of 12 toxicity pathways, as part of the MoleculeNet benchmark datasets. This model has been trained using the GROVER transformer (see eos7w6n or grover-embedding for a detail of the molecular featurization step with GROVER)
- EOS model ID:
eos5smc - Slug:
grover-tox21
- Input:
Compound - Input Shape:
Single - Task:
Classification - Output:
Probability - Output Type:
Float - Output Shape:
List - Interpretation: Toxicity measurements against 12 biological targets
- Publication
- Source Code
- Ersilia contributor: Amna-28
If you use this model, please cite the original authors of the model and the Ersilia Model Hub.
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a MIT license.
Notice: Ersilia grants access to these models 'as is' provided by the original authors, please refer to the original code repository and/or publication if you use the model in your research.
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