scholarly article | Q13442814 |
P50 | author | Kai Dührkop | Q57191385 |
Sebastian Böcker | Q63208429 | ||
Kerstin Scheubert | Q116687755 | ||
P2860 | cites work | DECOMP--from interpreting Mass Spectrometry peaks to solving the Money Changing Problem. | Q51897369 |
Comparison of algorithms and databases for matching unknown mass spectra. | Q52239212 | ||
From genomics to chemical genomics: new developments in KEGG | Q24538628 | ||
Automatic recalibration and processing of tandem mass spectra using formula annotation | Q27807487 | ||
Identifying the Unknowns by Aligning Fragmentation Trees | Q28530233 | ||
On the inter-instrument and inter-laboratory transferability of a tandem mass spectral reference library: 1. Results of an Austrian multicenter study. | Q33402532 | ||
Computing fragmentation trees from tandem mass spectrometry data | Q33779369 | ||
In silico identification software (ISIS): a machine learning approach to tandem mass spectral identification of lipids. | Q34271861 | ||
Metabolite identification and molecular fingerprint prediction through machine learning. | Q34344462 | ||
De novo analysis of electron impact mass spectra using fragmentation trees | Q34346807 | ||
MetFusion: integration of compound identification strategies | Q34620986 | ||
SIRIUS: decomposing isotope patterns for metabolite identification | Q43184399 | ||
Towards de novo identification of metabolites by analyzing tandem mass spectra | Q44805412 | ||
P275 | copyright license | Creative Commons Attribution 4.0 International | Q20007257 |
P6216 | copyright status | copyrighted | Q50423863 |
P433 | issue | 2 | |
P304 | page(s) | 506-516 | |
P577 | publication date | 2013-06-13 | |
P1433 | published in | Metabolites | Q27724046 |
P1476 | title | Molecular Formula Identification with SIRIUS. | |
P478 | volume | 3 |
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