| Autor: |
Pretsch, E1 (AUTHOR), Badertscher, M (AUTHOR), Burgin, R (AUTHOR), Munk, M E (AUTHOR) |
| Předmět: |
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| Zdroj: |
Journal of Chemical Information & Computer Sciences. Jul-Aug1992, Vol. 32 Issue 4, p291-295. 5p. |
| Abstrakt: |
The strategies to increase the range of applicability of a recently described program C13Shift are discussed. The modularity of the approach and the independence of the parameters allow the addition of new rules and new parameters. The program has been interfaced to a molecular assembler so that generated structures can be ranked according to the deviations between observed and predicted chemical shifts. [ABSTRACT FROM AUTHOR] |
| Databáze: |
Library, Information Science & Technology Abstracts |
| Externí odkaz: |
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