Role of artificial intelligence in natural and green chemistry

Artificial Intelligence (AI) is transforming modern scientific research by providing advanced computational methods for data analysis, prediction, and automation. In chemistry, AI has emerged as a powerful tool for accelerating discoveries in natural chemistry and promoting sustainability through green chemistry principles. Natural chemistry focuses on compounds obtained from natural resources such as plants, microorganisms, and marine organisms, while green chemistry aims to minimize environmental impact by reducing waste and improving resource efficiency. AI technologies including machine learning, deep learning, predictive analytics, and robotics have significantly improved chemical research by enabling rapid molecular screening, reaction optimization, catalyst design, and sustainable manufacturing. AI-assisted approaches reduce experimentation time, lower research costs, and improve environmental performance. This paper explores the role of AI in natural and green chemistry, discussing major applications, benefits, challenges, and future prospects. The study highlights how AI can support sustainable development goals and revolutionize chemical sciences in the coming decades.

© 2026 — Authors retain the copyright of this article. This is an open access article distributed under the Creative Commons Attribution License (CC BY 4.0) , which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.