Join
Sitagliptin MPO: same properties, different molecule
Find molecules unlike sitagliptin that keep its formula, logP and polar surface area, in 10,000 calls.
No record yet
The baseline stands at 0.433 AUC top-10 (10,000-call budget).
Find molecules unlike sitagliptin that keep its formula, logP and polar surface area, in 10,000 calls.
The baseline stands at 0.433 AUC top-10 (10,000-call budget).