Artificial intelligence approaches for anti-addiction drug discovery

Digit Discov. 2025 May 13;4(6):1404-1416. doi: 10.1039/d5dd00032g. eCollection 2025 Jun 11.

Abstract

Drug addiction remains a complex global public health challenge, with traditional anti-addiction drug discovery hindered by limited efficacy and slow progress in targeting intricate neurochemical systems. Advanced algorithms within artificial intelligence (AI) present a transformative solution that boosts both speed and precision in therapeutic development. This review examines how artificial intelligence serves as a crucial element in developing anti-addiction medications by targeting the opioid system along with dopaminergic and GABAergic systems, which are essential in addiction pathology. It identifies upcoming trends promising in studying less-researched addiction-linked systems through innovative general-purpose drug discovery techniques. AI holds the potential to transform anti-addiction research by breaking down conventional limitations, which will enable the development of superior treatment methods.

Publication types

  • Review