Review
Open access
Jul 2026
This comprehensive narrative review synthesizes recent advances in AI/ML methodologies – including graph neural networks, physics-informed neural networks, deep reinforcement learning, and generative artificial intelligence – and critically evaluates their applications spanning molecular property prediction, catalyst design, pharmaceutical development, reactor optimization, process control, and sustainability initiatives.
Fatemeh Valizadeh Hajidehi, Azam Mina
· Chemical and Process Enginee... · 0 citations