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Sitagliptin MPO: same properties, different molecule
Find molecules unlike sitagliptin that keep its formula, logP and polar surface area, in 10,000 calls.
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基线保持在 AUC top-10 (10,000-call budget) 0.433。
Find molecules unlike sitagliptin that keep its formula, logP and polar surface area, in 10,000 calls.
基线保持在 AUC top-10 (10,000-call budget) 0.433。