Designing GSK3β inhibitors under a 10,000-call budget
Find molecules that a GSK3β 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) 0.865。
Find molecules that a GSK3β activity model scores highly, within 10,000 oracle calls.
基线保持在 AUC top-10 (10,000-call budget) 0.865。