| Autor: |
Lipkus, A H1 (AUTHOR), Munk, M E (AUTHOR) |
| Předmět: |
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| Zdroj: |
Journal of Chemical Information & Computer Sciences. Feb1988, Vol. 28 Issue 1, p9-17. 9p. |
| Abstrakt: |
In computer-assisted structure elucidation, a large number of candidate structures for the unknown compound can be generated. A computer program designed to aid in the recognition of significant differences between these structures is described. The goal of the program is to group the candidates into meaningful classes with a minimum of input from the user; each class is distinguished by a substructure its members have in common. A computational approach is developed based on the combinatorial problem of set covering. The program evaluates its results using an information-theoretical criterion. An application of the program to a real-world structure problem is presented. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Library, Information Science & Technology Abstracts |
| Externí odkaz: |
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