Sitagliptin MPO: same properties, different molecule
Find molecules unlike sitagliptin that keep its formula, logP and polar surface area, in 10,000 calls.
| # | Route | AUC top-10 (10,000-call budget) ↑ | vs baseline |
|---|---|---|---|
| — | Baseline · Best in the PMO paper (Graph GA) | 0.433 | the bars start here |