Artificial Intelligence in Chemistry: Structure Elucidation and Simulation of Organic Reactions

 
9788301096052: Artificial Intelligence in Chemistry: Structure Elucidation and Simulation of Organic Reactions
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This highly comprehensive overview of the application of artificial intelligence methods in chemistry contains an in-depth summary of the most interesting achievements of modern AI: problem-solving in the structure elucidation and in syntheses design. The book provides a brief history of AI as a branch of computer science, an overview of the basic methods employed for searching the solution space (thoroughly exemplified by chemical problems), together with a profound and expert discussion (the author looks at problems discussed from the point of view of a computer scientist, having also a broad background in chemistry) of many questions that may be raised by modern chemists wishing to apply computer-assistance in their own research. It also includes a survey of most important references, covering all essential research done to date in automated interpretation of molecular spectra to elucidate a structure, or in syntheses design. A glossary of basic terms from computer technology, for chemists, is appended.

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