| Paper | Code | ROC-AUC | ModelName | ReleaseDate |
|---|---|---|---|---|
| Integrating convolutional layers and biformer network with forward-forward and backpropagation training | ✓ Link | 99.8 | Deep-CBN | 2025-02-28 |
| Uni-Mol: A Universal 3D Molecular Representation Learning Framework | ✓ Link | 82.1 | Uni-Mol | 2022-09-08 |
| Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck | ✓ Link | 77.71±1.19 | S-CGIB | 2025-02-20 |
| BioAct-Het: A Heterogeneous Siamese Neural Network for Bioactivity Prediction Using Novel Bioactivity Representatio | ✓ Link | 69.47 | BioAct-Het | 2023-10-15 |
| Low Data Drug Discovery with One-shot Learning | 67.00 | IterRefLSTM | 2016-11-10 |