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Psychiatry --- Theatrical science

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Creative ability in technology --- Technical creativity --- Technology --- Learning: analogies; concept learning; induction; knowledge acquisition; language acquisition; parameter learning (Artificial intelligence)--See also {681.3*K32} --- 681.3*I26 Learning: analogies; concept learning; induction; knowledge acquisition; language acquisition; parameter learning (Artificial intelligence)--See also {681.3*K32} --- 681.3*I26

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Here, the authors introduce readers to solving molecular structure elucidation problems using the expert system ACD/Structure Elucidator. They explain in detail the concepts of the Computer-Assisted Structure Elucidation (CASE) approach and point out the crucial role of understanding the axiomatic nature of the data used to deduce the structure. Aspects covered include the main blocks of the expert system and essential features of the mathematical algorithms used. Graduate and PhD students as well as practicing chemists are provided with a detailed explanation of the various practical approaches depending on available spectral data peculiarities and the complexity of the unknown structure. This is supported by a large number of real-world completed examples, most of which are related to the structure elucidation of natural product molecules containing unusual skeletons. Dedicated software and further supplementary material are available at www.acdlabs.com/TeachingSE.

Chemistry. --- Spectroscopy/Spectrometry. --- Organic Chemistry. --- Physical Chemistry. --- Computer Applications in Chemistry. --- Spectroscopy. --- Chemistry, Organic. --- Chemistry, Physical organic. --- Chimie --- Chimie organique --- Cheminformatics. --- Molecular structure -- Computer simulation. --- Spectrum analysis -- Data processing. --- Structural bioinformatics. --- Chemistry --- Physical Sciences & Mathematics --- Analytical Chemistry --- Molecular structure --- Spectrum analysis --- Computer simulation. --- Data processing. --- Chemical informatics --- Chemiinformatics --- Chemoinformatics --- Chemistry informatics --- Structure bioinformatics --- Analysis, Spectrum --- Spectra --- Spectrochemical analysis --- Spectrochemistry --- Spectroscopy --- Structure, Molecular --- Chemoinformatics. --- Organic chemistry. --- Physical chemistry. --- Information science --- Bioinformatics --- Chemistry, Analytic --- Interferometry --- Optics --- Radiation --- Wave-motion, Theory of --- Absorption spectra --- Light --- Spectroscope --- Chemical structure --- Structural bioinformatics --- Data processing --- Qualitative --- Physical sciences --- Chemistry, Physical organic --- Chemistry, Organic --- Chemistry, Physical and theoretical --- Organic chemistry --- Computational chemistry --- Spectrometry --- Chemistry, Theoretical --- Physical chemistry --- Theoretical chemistry --- Analytical chemistry