Prediction across the ToxCast toxicity panel, containing hundreds of toxicity outcomes, as part of the MoleculeNet benchmark. 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:
eos481p - Slug:
grover-toxcast
- Input:
Compound - Input Shape:
Single - Task:
Classification - Output:
Probability - Output Type:
Float - Output Shape:
List - Interpretation: Probability of toxicity against 617 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.
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