Fitting structure-data files (.sdf) libraries to progenesis qi identification

HIGHLIGHTS

  • who: Searches and collaborators from the Universidade Su00e3o Francisco, Bragancu0327a Paulista-SP, Brazil have published the paper: Fitting Structure-Data Files (.SDF) Libraries to Progenesis QI Identification, in the Journal: (JOURNAL)

SUMMARY

    Fitting Structure-Data Files (.SDF) Libraries to Progenesis QI Identification Searches ion cyclotron resonance (FT-ICR) data (.raw; v1.0.6680.30349) files. It applies a search-based approach for experimental feature annotation by matching its physicochemical properties and spectral similarity with public/commercial spectral libraries. This approach relies on libraries structure-data (.sdf) and the main spectra profile (.msp) file . . .

     

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