Transfer learning enables discovery of sub-micromolar antibacterials for ESKAPE pathogens from ultra-large chemical spaces
Miguel García-Ortegón, Srijit Seal, Emily J. Geddes, Jenny L. Littler, Collette S. Guy, Jonathan Whiteside, Carl Edward Rasmussen, Andreas Bender, Sergio Bacallado
This paper uses transfer learning to identify potent antibacterials from large chemical libraries, finding 54% of tested compounds active against E. coli with sub-micromolar potency.
Chemical Science · Jan 1, 2025Peer-reviewedBioinformatics