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Machine learning for identification of silylated derivatives from mass spectra
MOTIVATION: Compound structure identification is using increasingly more sophisticated computational tools, among which machine learning tools are a recent addition that quickly gains in importance. These tools, of which the method titled Compound Structure Identification:Input Output Kernel Regress...
| Autores principales: | , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
Springer International Publishing
2022
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC9476372/ https://www.ncbi.nlm.nih.gov/pubmed/36109826 http://dx.doi.org/10.1186/s13321-022-00636-1 |