Algorithm for Determining the Sum Formula of Metabolites from Mass Spectrometry Spectra
This work addresses the challenge of determining chemical sum formulas from mass spectrometry data through a three-fold approach: establishing a formal problem framework, analyzing its computational complexity, and developing an approximate algorithm that synergizes reference database integration wi...
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| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
Sciendo
2025-06-01
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| Series: | Foundations of Computing and Decision Sciences |
| Subjects: | |
| Online Access: | https://doi.org/10.2478/fcds-2025-0007 |
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