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|Alternative name||Metabolite Identification via Database Searching|
|Interface||Command line interface|
|Restrictions to use||None|
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- person_outline Chongle Pan
Publication for Metabolite Identification via Database Searching
Comprehensive comparison of in silico MS/MS fragmentation tools of the CASMI contest: database boosting is needed to achieve 93% accuracy
[…] compounds in silico fragmentation software tools have been developed and are used to identify MS/MS spectra when the reference MS/MS spectrum is not available. Such software tools include MetFrag , MIDAS , MAGMa [, ], MAGMa+ , MOLGEN–MS/MS , CSI:FingerID , CFM-ID , FingerID , Input output kernel regression (IOKR)  and the MS-Finder software . A number of commercial software solut […]
Fast metabolite identification with Input Output Kernel Regression
[…] g methods: FingerID () and CSI:FingerID. showed that CSI:FingerID improved significantly the metabolite identification rate compared with competing methods including CFM-ID (), MetFrag (), MAGMa (), MIDAS () as well as FingerID—the second most accurate method in their comparison. Both FingerID and CSI:FingerID train a SVM classifier for each molecular property. A scoring function is then used to […]
Analysis of Metabolomics Datasets with High Performance Computing and Metabolite Atlases
[…] ple and method specific constraints on Metabolite Atlases make sharing of compound IDs have a rational. Once the form of the molecular ion is identified, in silico identification strategies including MIDAS and MetFrag provide effective strategies for compound identification [,].This is important because many people with the same goals can’t leverage the work of the community. The majority of effor […]
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