Molecular Property Prediction On Toxcast 1
評価指標
ROC-AUC
評価結果
このベンチマークにおける各モデルのパフォーマンス結果
比較表
| モデル名 | 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 |