MODEL_CARD.md

# Model card - tox21_grover_classifier
### Model details
- Model name: Grover Tox21 Baseline
- Developer: Tencent AI Lab (trained by JKU Linz)
- Paper URL: https://arxiv.org/pdf/2007.02835
- Model type / architecture:
    - Grover implemented using the code accompanying the paper.
    - The pretrained grover_base model is used as provided.
    - A multitask network is finetuned for all Tox21 targets.
- Inference: Access via FastAPI endpoint. Upon a Tox21 prediction request, the model generates and returns predictions for all Tox21 targets simultaneously.
- Model version: v0
- Model date: 10.12.2025
- Reproducibility: Code for full training is available and enables refitting of TabPFN
from scratch.
- Reproducibility: Code for full training is available and enables retraining of the model from scratch.

### Intended use
This model serves as a baseline benchmark for evaluating and comparing toxicity prediction
methods across the 12 pathway assays of the Tox21 dataset. It is not intended for clinical
decision-making without experimental validation.

### Metric
Each Tox21 task is evaluated using the area under the receiver operating characteristic curve (AUC). Overall performance is reported as the mean AUC across all individual tasks.

### Training data
Tox21 training and validation sets.

### Evaluation data
Tox21 test set.