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Summary of AI Models Utilized in the Validation Process.
| Model Name | Type of Model | Whether Including Pretraining | 2D/3D |
|---|---|---|---|
| Random Forest (RF)41 | Machine Learning | Na | NA |
| XGBoost40 | Machine Learning | Na | NA |
| CMPNN51 | Graph Deep Learning | No | 2D |
| FPGNN52 | Graph Deep Learning | No | 2D |
| DHTNN53 | Transformer Deep Learning | No | 2D |
| KANO54 | Graph Deep Learning | Yes | 2D |
| MPG55 | Graph Deep Learning | Yes | 2D |
| Unimol56 | Transformer Deep Learning | Yes | 2D + 3D |
| Transformer-M57 | Transformer Deep Learning | Yes | 2D + 3D |
