Artificial Intelligence in Green Organic Chemistry: Pathway to Sustainable and Eco-Friendly Chemistry
This review explores the application of AI in areas such as reaction optimization, solvent selection and waste reduction, all key aspects of green chemistry and highlights the potential of AI to accelerate green chemistry innovation while maintaining alignment with the 12 principles of green chemistry.
Abstract
Artificial intelligence (AI) is playing an increasingly critical role in advancing green organic chemistry by optimizing chemical processes to minimize environmental impact. From predicting reaction outcomes to designing eco-friendly synthetic pathways, AI tools are contributing to sustainable chemical research. This review explores the application of AI in areas such as reaction optimization, solvent selection and waste reduction, all key aspects of green chemistry. Moreover, AI-driven approaches allow for the development of catalysts and reagents that reduce harmful byproducts and energy consumption. Despite these advancements, challenges remain in terms of data availability, integration with experimental workflows and ensuring the interpretability of AI models for chemists. This review also highlights the potential of AI to accelerate green chemistry innovation while maintaining alignment with the 12 principles of green chemistry. By addressing these challenges, AI can further enhance the sustainability of organic synthesis, paving the way for a greener chemical industry.