ML models trained on this dataset can be used to virtually screen commercial small molecule catalogs, with ML-nominated hits either purchased directly or synthesized along with their analogs. These hits can then be evaluated for binding using various biophysical methods, such as surface plasmon resonance (SPR). Additionally, co-crystallization with the target protein can be performed to confirm binding. These final validation steps are critical, as the ultimate goal of any virtual screening model is to identify hits that are confirmed through biochemical or biophysical assays.