Machine Learning for Discovery of New ADORA Modulators.

ABSTRACT: Adenosine (ADO) is an extracellular signaling molecule generated locally under conditions that produce ischemia, hypoxia, or inflammation. It is involved in modulating a range of physiological functions throughout the brain and periphery through the membrane-bound G protein-coupled receptors, called adenosine receptors (ARs) A₁AR, A_2AAR, A_2BAR, and A₃AR. These are therefore important targets for neurological, cardiovascular, inflammatory, and autoimmune diseases and are the subject of drug development directed toward the cyclic adenosine monophosphate and other signaling pathways. Initially using public data for A₁AR agonists we generated and validated a Bayesian machine learning model (Receiver Operator Characteristic of 0.87) that we

SUBMITTER: Puhl AC 

PROVIDER: S-EPMC9257522 | biostudies-literature | 2022

REPOSITORIES: biostudies-literature