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Table 6 Peak identification results by manual, ChromaTOF and the AIoutput software

From: GC/MS based metabolomics: development of a data mining system for metabolite identification by using soft independent modeling of class analogy (SIMCA)

 

Analysis time

False negatives

False positives

Manual

39 ± 15 h

12 ± 6

5 ± 2

ChromaTOF

20 sec

70

5

AIoutput

2 min

0

10

  1. Manual analysis was performed by six skilled people in our laboratory. ChromaTOF software identified the compounds based on the NIST library. The AIoutput software identified compounds based on our reference library.
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BMC Bioinformatics

ISSN: 1471-2105

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