Particularly, Shao et al.403initially built SVM models to quickly select the compounds containing indole–piperazine–pyrimidine scaffold among large chemical databases and subsequently identified novel compounds that simultaneously bind the two receptors—adenosine A2A receptor and dopamine D2 receptor—implicated in the PD pathophysiology. In another study, Sebastián‐Pérez404 utilized several ML techniques to infer QSAR models for the identification of putative inhibitors of LRRK2 protein, a key genetic risk factor for familiar and sporadic PD. Here, LRRK2 is linked to Parkinson disease.