Learning from human and chemical languages to predict biological function
Clayton W. Kosonocky, Nikol Kadeřábková, Kangsan Kim, Ayesha J. S. Mahmood, Alexander Dunmyre, Phillip R. Woolley, Kristi Xing, Daniel Winkler, Tomer Babu, Filip Kadeřábek, Jonathan L. Sessler, Eric V. Anslyn, Edward M. Marcotte, Yan Zhang, Andrew D. Ellington, Despoina A. I. Mavridou
This paper introduces a deep learning model that predicts biological function from chemical structure using scientific literature, identifying effective inhibitors of beta-lactamases.
bioRxiv · Aug 17, 2026 · PreprintBioinformatics