Data Party THU
Jun 27, 2026 · Artificial Intelligence
AI and Chemists Co-Develop TYR Inhibitors via Dual-Track Optimization
The study presents a dual-track strategy that combines deep reinforcement‑learning‑driven de novo molecular generation with expert‑guided medicinal chemistry to discover and optimize TYR inhibitors, demonstrating how AI expands chemical space while chemists ensure synthetic feasibility, leading to potent candidates such as AI10‑m15 with strong anti‑melanogenesis activity.
AI-driven drug discoveryTYR inhibitorchemical space exploration
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