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Building blocks for automated elucidation of metabolites: natural product-likeness for candidate ranking
BACKGROUND: In metabolomics experiments, spectral fingerprints of metabolites with no known structural identity are detected routinely. Computer-assisted structure elucidation (CASE) has been used to determine the structural identities of unknown compounds. It is generally accepted that a single 1D...
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| Hoofdauteurs: | , |
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| Formaat: | Artigo |
| Taal: | Inglês |
| Gepubliceerd in: |
BioMed Central
2014
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| Onderwerpen: | |
| Online toegang: | https://ncbi.nlm.nih.gov/pmc/articles/PMC4089557/ https://ncbi.nlm.nih.gov/pubmed/24996690 https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1186/1471-2105-15-234 |
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