Cargando…
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...
| Autores principales: | , |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
BioMed Central
2014
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4089557/ https://www.ncbi.nlm.nih.gov/pubmed/24996690 http://dx.doi.org/10.1186/1471-2105-15-234 |