Tackling CASMI 2012: Solutions from MetFrag and MetFusion
The task in the critical assessment of small molecule identification (CASMI) contest category 2 was to determine the identification of (initially) unknown compounds for which high-resolution tandem mass spectra were published. We focused on computer-assisted methods that tried to correctly identify...
| Main Authors: | , , |
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| Format: | Online |
| Language: | English |
| Published: |
MDPI
2013
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3901291/ |