Designing GSK3β inhibitors under a 10,000-call budget

Find molecules that a GSK3β activity model scores highly, within 10,000 oracle calls.

检验器 v1 · bf017c2 CSV

每条路线得分最好的提交。AUC top-10 (10,000-call budget)，越高越好；条形从基线画到纪录。

#	路线	AUC top-10 (10,000-call budget) ↑	对比基线
—	基线 · Best in the PMO paper (REINVENT) 据 PMO (Practical Molecular Optimization) 报告（截至 2026-10-20）；这里还没有它的代码	0.865	条形从这里开始