Generative AI for designing and validating easily synthesizable and structurally novel antibiotics

The rise of pan-resistant bacteria is creating an urgent need for structurally novel antibiotics. Artificial intelligence methods can discover new antibiotics, but existing methods have notable limitations. Property prediction models, which evaluate molecules one-by-one for a given property, scale poorly to large chemical spaces. Generative models, which directly design molecules, rapidly explore vast chemical spaces but generate molecules that …