A Python implementation of Baffling Recursive Algorithm for Isotopic distributioN calculations
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Updated
May 24, 2024 - Python
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isotopic-distribution-calculations
Here are 5 public repositories matching this topic...
United Formula Annotation (UFA) for LC-HRMS data
cran
metabolomics
mass-spectrometry
lipidomics
isotopic-distribution-calculations
exposome
small-molecule
molecular-formulae-assignment
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Updated
May 18, 2023 - R
Exhaustive Formula Annotation from ions to formula
cran
metabolomics
mass-spectrometry
lipidomics
isotopic-distribution-calculations
exposome
molecular-formulae-assignment
elemental-composition
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Updated
Apr 6, 2023 - R
A simplified version of the 'IDSL.UFA' package
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Updated
Mar 25, 2023 - R
The IPDC algorithm was developed to screen for a wide variety of organic compounds in high-resolution mass spectrometry (HRMS) data acquired from instruments with resolution power as low as 22 000 fwhm.
mass-spectrometry
lc-ms
environmental-monitoring
isotopic-distribution-calculations
gc-ms
apgc
environmental-toxicology
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Updated
Jun 25, 2022 - MATLAB
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