Fig. 4: Commercially available compounds tested for PI3Kγ inhibition.
From: Leveraging molecular structure and bioactivity with chemical language models for de novo drug design
Compounds 1–16 are shown, together with the number of votes from the ensemble of the maximum number of 100 possible votes and the experimentally determined binding constant Kd. The absence of a value (−) indicates no observed binding of the compound to the target.
