Accelerating antibiotic discovery by leveraging machine learning models: Application to identify novel inorganic complexes
Miroslava Nedyalkova,
Gözde Demirci,
Youri Cortat
et al.
Abstract:New antibiotics are required to combat the emergence of drug-resistant bacteria. S. aureus is a Gram-positive pathogen that often displays multidrug resistance. Through conventional screening approaches, the discovery of new antibiotics against S. aureus has proven to be challenging. Molecular property prediction of novel antibiotics candidates by machine-learning (ML) methods has increased the rate at which such molecules are identified. The bottleneck of the existing approaches relies on the structure simila… Show more
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