As shown in Figure , the queried expert can answer how strongly they agree with a given selected molecule being predicted as DRD2 active using a slider ranging from 0 (strongly disagree) to 100% (strongly agree). The slider value initializes at 50%, allowing the expert to maintain this value if they have no specific opinion about a given molecule. For instance, if the slider is positioned at 40% by the expert, then the label h t given to the queried molecule is 0 since the slider value is lower than the threshold of 50%, while the confidence score u t = 100-40 = 60%, reflecting how much the expert was confident in their disagreement with the QSAR model prediction. For each experiment, we started with the initial generative agent optimized in the previous experiment for 1200 steps then performed a total of 3 rounds, with L = 5 batch AL iterations, using EPIG as acquisition criterion and a batch size T of 10 molecules.