Molecular Property Prediction On Toxcast 1
评估指标
ROC-AUC
评测结果
各个模型在此基准测试上的表现结果
比较表格
| 模型名称 | ROC-AUC |
|---|---|
| chemrl-gem-geometry-enhanced-molecular | 69.2 |
| uni-mol-a-universal-3d-molecular | 69.6 |
| pre-training-graph-neural-networks | 65.7 |
| grover-self-supervised-message-passing | 65.3 |
| pre-training-graph-neural-networks-on | 70.95±0.27 |
| dumpling-gnn-hybrid-gnn-enables-better-adc | 78.2 |
| are-learned-molecular-representations-ready | 65.5 |
| grover-self-supervised-message-passing | 65.4 |