AI in Drug Discovery uses machine learning, deep learning, and predictive modeling to accelerate the identification and development of new medicines. AI analyzes vast datasets—including chemical structures, biological targets, and clinical outcomes—to predict drug–target interactions and optimize compound design. It reduces the time and cost of traditional drug development by quickly screening potential molecules and identifying promising candidates. AI also supports repurposing existing drugs, simulating drug behavior, and improving toxicity prediction. By enhancing accuracy and innovation, AI-driven drug discovery is transforming pharmaceutical research and enabling faster development of effective, personalized treatments.