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Aqueous solubility from structure
Predict aqueous solubility in log mol/L for 9,982 compounds from AqSolDB, scored by mean absolute error.
| # | 路线 | MAE (log mol/L) ↓ | 对比基线 |
|---|---|---|---|
| — | 基线 · Top of the TDC leaderboard (MiniMol) | 0.741 | 条形从这里开始 |
Predict aqueous solubility in log mol/L for 9,982 compounds from AqSolDB, scored by mean absolute error.
| # | 路线 | MAE (log mol/L) ↓ | 对比基线 |
|---|---|---|---|
| — | 基线 · Top of the TDC leaderboard (MiniMol) | 0.741 | 条形从这里开始 |