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Reshaping Experimental Organic Research with Smart in Silico Tools: Invitation to Artificial Intelligence-Equipped Organic Lab
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Erscheint vorauss. 30. Mai 2026
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Artificial intelligence (AI) is extensively used in scientific research nowadays and has reshaped the practice in academia, industry, business, cybersecurity, etc. However, this revolution has not touched organic chemistry, the field appreciably frozen in its methods, until the last few years.This book is the first to introduce the contemporary AI-driven computerization of organic laboratory. It is designed to be a basic practical guide that is organic chemist-friendly, dispensing with abstract treatments of the mathematical theory of machine learning, while strongly focusing on the recently d...
Artificial intelligence (AI) is extensively used in scientific research nowadays and has reshaped the practice in academia, industry, business, cybersecurity, etc. However, this revolution has not touched organic chemistry, the field appreciably frozen in its methods, until the last few years.This book is the first to introduce the contemporary AI-driven computerization of organic laboratory. It is designed to be a basic practical guide that is organic chemist-friendly, dispensing with abstract treatments of the mathematical theory of machine learning, while strongly focusing on the recently developed mélange of AI-carrying software that simplify and accelerate the planning of organic synthesis and structure elucidation. It will explain to organic, bioorganic, and natural product chemists what AI and its applicative approaches are, while techniques of these AI approaches will be schematically described. Perspectives of using AI in instrumental separation of organic compounds will also be discussed.For researchers from organic laboratories worldwide, this book is certainly the timely key to the toolbox of various chemistry-oriented AI software that is beginning to revolutionize the age-old practice of experimental organic research.
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