Artificial Intelligence for Chemical Sciences

Discusses use of AI and its computer-aided applications in designing new drugs and chemical products, for toxicity prediction and biodegradation, and for fault diagnosis in chemical processing plants. Provides mathematical and nonmathematical applications of AI in chemical sciences. 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.