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Designing molecules that score high on the DRD2 oracle
Find molecules that a dopamine-D2 activity model scores highly, within 10,000 oracle calls.
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基线保持在 AUC top-10 (10,000-call budget) 0.969。
Find molecules that a dopamine-D2 activity model scores highly, within 10,000 oracle calls.
基线保持在 AUC top-10 (10,000-call budget) 0.969。