Sangeeta1, Rekha Sharma1 and Niteesh Kumar2, 1Dr Bhimrao Ambedkar University, India, 2Beyondata Solution Pvt. Ltd, India
Artificial intelligence (AI) is transforming chemistry by accelerating molecular simulations, exploring chemical spaces, and automating experimental design. This paper reviews AI applications in chemistry, highlighting machine learning and deep learning techniques for predicting molecular properties, retrosynthesis planning, and reaction optimization. AI integration enables novel molecule discovery, synthesis route optimization, and enhanced research efficiency. Key applications include drug discovery acceleration, materials design, and green chemistry advancement. The convergence of AI with experimental chemistry promises continued innovation in molecular design and chemical process optimization.
Artificial Intelligence, Machine Learning, Chemistry, Molecular Design, Drug Discovery
