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hERG channel blockade from structure
Classify whether a compound blocks the hERG cardiac ion channel, scored by AUROC on 648 drugs.
| # | 路线 | AUROC ↑ | 对比基线 |
|---|---|---|---|
| — | 基线 · Top of the TDC leaderboard (MapLight + GNN) | 0.88 | 条形从这里开始 |
Classify whether a compound blocks the hERG cardiac ion channel, scored by AUROC on 648 drugs.
| # | 路线 | AUROC ↑ | 对比基线 |
|---|---|---|---|
| — | 基线 · Top of the TDC leaderboard (MapLight + GNN) | 0.88 | 条形从这里开始 |