Artificial Intelligence for Chemical Sciences Concepts, Models, and Applications

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Artificial Intelligence for Chemical Sciences: Concepts, Models, and Applications
by Shrikaant Kulkarni, Shashikant Bhandari, Dushyant Varshney, P. William
English | 2025 | ISBN: 1774918323 | 415 pages | True PDF EPUB | 127.14 MB

Chemists are increasingly employing artificial intelligence (AI) for diversified applications. This new volume explores the use of AI and its various computer-aided applications for the design of new drugs and chemical products, for toxicity prediction and biodegradation, and for fault diagnosis in chemical processing plants. The volume explores knowledge and reasoning-based approaches of the field of chemintelligence to make predictions about the right molecules with given structures and properties as precursors or starting materials, reaction pathways, reaction conditions, improvement in reaction efficiency and selectivity, toxicity, metabolism, biodegradation, and more.



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