Cargando…
Deep kernel learning improves molecular fingerprint prediction from tandem mass spectra
MOTIVATION: Untargeted metabolomics experiments rely on spectral libraries for structure annotation, but these libraries are vastly incomplete; in silico methods search in structure databases, allowing us to overcome this limitation. The best-performing in silico methods use machine learning to pred...
| Autor principal: | |
|---|---|
| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Oxford University Press
2022
|
| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9235503/ https://www.ncbi.nlm.nih.gov/pubmed/35758813 http://dx.doi.org/10.1093/bioinformatics/btac260 |