Compound A was selected from the list of drugs approved by the food and drug administration (FDA) in 2023 for its relatively high epistemic uncertainty scores. Durlobactam features a sulfated imidazolidinone moiety -a functional group absent from our training set. AWESOM's inability to generate meaningful embeddings for this new substructure is reflected in the high epistemic uncertainty associated with these atoms. The elevated uncertainty scores signal to the user that improving predictions for this and similar molecules requires training data on this underrepresented moiety. According to , durlobactam is only minimally metabolized, likely via hydrolysis of the diazabicyclooctenone core. We translated this information by labelling the involved atoms "putative SOMs". As shown in Figure , AWESOM captures the moderate metabolic instability of the amide functional group.