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  • 1
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer aided molecular design 2 (1988), S. 107-123 
    ISSN: 1573-4951
    Keywords: Artificial intelligence ; Template joining method ; Molecular modeling
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary The results of a wide-ranging investigation into some of the different methods available for performing the ‘joining’ of templates to build molecular models show that the choice of algorithm can significantly affect the quality of the results obtained, and different algorithms are most suited to particular categories of join.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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  • 2
    Electronic Resource
    Electronic Resource
    Springer
    Journal of computer aided molecular design 1 (1987), S. 73-85 
    ISSN: 1573-4951
    Keywords: Artificial intelligence ; Conformational analysis ; PROLOG
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Summary A program which utilizes the techniques of Artificial Intelligence and Expert Systems to solve problems in the area of Conformational Analysis is described. The program searches conformational space in a systematic fashion, based on the technique known as heuristic state-space search. The program proceeds by recognizingconformational units, assigning one or moreconformational templates to each unit, andjoining them to form conformational suggestions. These suggestions arecriticized to discover logical inconsistencies, and any resulting stresses areresolved. The resulting conformational suggestions are sometimes accurate enough for immediate use, or may be further refined by a numerical program. The latter combination is shown to be quite efficient compared to purely numerical conformational search techniques.
    Type of Medium: Electronic Resource
    Library Location Call Number Volume/Issue/Year Availability
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