VIDRAFT AETHER-PharmaOS structure-based ensemble (gradient-boosted trees blended with a tabular foundation model) for ChEMBL236 Ki bioactivity regression on activity-cliff molecules (MoleculeACE).
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| Test set | Target label | Metric | Score |
|---|---|---|---|
| test | y | mean_squared_error | 0.4703740102898284 |