Fig. 2
From: Antimicrobial resistance crisis: could artificial intelligence be the solution?
Artificial intelligence (AI) in small-molecule antibiotic development. AI-based methods empower novel small-molecule antibiotic discovery from multiple dimensions, including mining secondary metabolites encoded by biosynthetic gene clusters (BGCs), screening existing compound libraries, and repurposing the Food and Drug Administration (FDA)-approved drugs. AI-based prediction of protein structures and functions, such as AlphaFold2 and RoseTTAFold, remarkably expands the protein space for docking simulations and drug rational design