Discovery of a structural class of antibiotics with explainable deep learning
Felix Wong, Erica J. Zheng, Jacqueline A. Valeri, Nina M. Donghia, Melis N. Anahtar, Satotaka Omori, Alicia Li, Andrés Cubillos-Ruiz, Aarti Krishnan, Wengong Jin, Abigail L. Manson, Jens Friedrichs, Ralf Helbig, Behnoush Hajian, Dawid K. Fiejtek, Florence F. Wagner, Holly H. Soutter, Ashlee M. Earl, Jonathan Stokes, Lars D. Renner, James J. Collins
Topics & Concepts
AntibioticsCytotoxicityComputational biologyArtificial intelligenceAntibiotic resistanceStaphylococcus aureusDrug discoveryComputer scienceMachine learningBiologyChemistryBioinformaticsMicrobiologyBacteriaBiochemistryGeneticsIn vitroComputational Drug Discovery MethodsMicrobial Natural Products and BiosynthesisMachine Learning in Materials Science