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  Evolutionary-algorithm-based strategy for computer-assisted structure elucidation

Han, Y. Q., & Steinbeck, C. (2004). Evolutionary-algorithm-based strategy for computer-assisted structure elucidation. Journal of Chemical Information and Computer Sciences, 44(2), 489-498. doi:10.1021/ci034132y.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-0012-A049-0 Version Permalink: https://hdl.handle.net/21.11116/0000-0005-B870-D
Genre: Journal Article

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 Creators:
Han, Y. Q.1, Author           
Steinbeck, C.1, Author           
Affiliations:
1Department of Bioorganic Chemistry, MPI for Chemical Ecology, Max Planck Society, ou_24028              

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Free keywords: Automated structure elucidation C-13 nmr-spectra Genetic algorithms Information-system Organic-molecules Natural-products Design Search Spectroscopy Generation. Chemistry in Current Contents(R)/Physical, Chemical & Earth Sciences.
 Abstract: An evolutionary algorithm (EA) using a graph-based data structure to explore the molecular constitution space is presented. The EA implementation proves to be a promising alternative to deterministic approaches to the problem of computer-assisted struct

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 Dates: 2004
 Publication Status: Issued
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 Identifiers: Other: BOL161
DOI: 10.1021/ci034132y
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Title: Journal of Chemical Information and Computer Sciences
Source Genre: Journal
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Publ. Info: Washington : American Chemical Society.
Pages: - Volume / Issue: 44 (2) Sequence Number: - Start / End Page: 489 - 498 Identifier: ISSN: 0095-2338
CoNE: https://pure.mpg.de/cone/journals/resource/111088195283830