LasR, RhlR, and PqsR AI's are shown in Figure . Find new antagonists for these TF's gives a new pathway for the P. aeruginosa infection management, but the structure-activity relationship of these targets doesn't know at the moment. For that reason, in this work, we search for characteristics or structural patterns associated with agonist activity, antagonist activity, or inactivity. To achieve this goal, we built a dataset of 310 molecules with reported biological activity in major public repositories from LasR, PqsR, and RhlR and performed cheminformatics studies. Here we propose some relevant keys to contribute to solving this problem.