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A new structural class of antibiotics has been discovered using deep learning-guided exploration of chemical spaces. The last one took 38 years! The article published in Nature identified compounds with efficacy against multiple bacteria (without toxicity), including methicillin-resistant Staphylococcus aureus (MRSA).
These findings are an encouraging proof-of-principle that machine learning techniques can be leveraged for drug discovery. Moreover, it demonstrates that the outcomes can also be explainable and provide insights into the chemical substructures that underlie selective antibiotic activity.
