Discovery of a structural class of antibiotics with explainable deep learning

Discovery of a structural class of antibiotics with explainable deep learning

The discovery of novel structural classes of antibiotics is urgently needed to address the ongoing antibiotic resistance crisis. Deep learning approaches have aided in exploring chemical spaces; these typically use black box models and do not provide chemical insights. Here we reasoned that the chem...

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Bibliographic Details
Main Authors: Wong, Felix, Zheng, Erica J., Valeri, Jacqueline A., Donghia, Nina M., Anahtar, Melis N., Omori, Satotaka, Li, Alicia, Cubillos-Ruiz1, Andres, Krishnan, Aarti, Jin, Wengong, Manson, Abigail L., Friedrich, Jens, Helbig, Ralf, Hajian, Behnoush, Fiejtek, Dawid K., Wagner, Florence F., Soutter, Holly H., Earl, Ashlee M., Stokes, Jonathan M., Renner, Lars D., Collins, James J.
Other Authors: Massachusetts Institute of Technology. Department of Biological Engineering
Format: Article
Language:en_US
Published: Springer Nature 2023
Online Access:https://hdl.handle.net/1721.1/153216

Internet

https://hdl.handle.net/1721.1/153216

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