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  • 11
    Electronic Resource
    Electronic Resource
    Springer
    The chemical educator 1 (1997), S. 1-12 
    ISSN: 1430-4171
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 12
    Electronic Resource
    Electronic Resource
    Springer
    The chemical educator 5 (2000), S. 196-204 
    ISSN: 1430-4171
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract It is often necessary in science to identify samples that have features in common. For example, one might wish to find those NMR spectra in a large database that have similar patterns of resonances or identify samples amongst a large number of specimens of river water that analysis shows have similar biochemical oxygen demand, heavy metals concentration, organochlorine content, and so on. The determination of relationships among samples is a task to which Artificial Intelligence is increasingly being applied. In this paper, we investigate the Self-Organizing Map (SOM), whose role is to perform just this kind of task; in other words, to cluster data samples so as to reveal the relationships that exist among them. The self-organizing map is a method, which, unusually, combines a mathematical foundation with an intuitive interpretation. We will describe how a simple SOM operates, what kinds of data may be analyzed using one, and how a computer program to run a SOM can be written by anyone-whether student or teacher-with modest programming skills. Portions of sample source code are included in this paper, and program listings for the examples that are discussed are available in the supporting materials. The supporting files can also be used to see the maps in operation.
    Type of Medium: Electronic Resource
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  • 13
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 1 (1987), S. 111-120 
    ISSN: 0886-9383
    Keywords: Principal component analysis ; Submatrix analysis ; Spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: In the treatment of spectroscopic data by principal component analysis, correct determination of the dimensionality of the data is essential. Submatrix analysis, which involves preliminary analysis of subsets of the data matrix, is described, and shown to be valuable in determining both the size of the factor space and estimates of equilibrium constants in the system, even for data containing abnormally large experimental error.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
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  • 14
    Electronic Resource
    Electronic Resource
    New York, NY : Wiley-Blackwell
    Journal of Chemometrics 2 (1988), S. 111-119 
    ISSN: 0886-9383
    Keywords: Oscillating reactions ; Rank determination ; Submatrix analysis ; Principal component analysis ; Spectroscopy ; Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Submatrix analysis has been extended to systems in which the values of adjustable parameters are not known. The technique is illustrated by application to phosphoric acid and to the chlorite-iodide oscillating reaction.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
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