Published July 21, 2019 | Version 1.0.0
Software Open

Identification of metabolites from tandem mass spectra with a machine learning approach utilizing structural features

Authors/Creators

  • 1. EMBL Heidelberg

Description

This submission contains software and precalculated data to identify compounds from tandem mass spectra. It contains pre-calculated data for compounds from KEGG, HMDB, ChEBI, and ChEBML, and short peptides with length less than 4.

Files

sf-matching_with_precalculated_library.zip

Files (20.1 GB)

Name Size
md5:0eb3e32df2c03b3de484c1d49612086c
20.1 GB Preview Download

Additional details

Related works

Is supplement to
10.1101/573790 (DOI)

Funding

European Commission
MicrobioS - Exploring the human gut microbiome at strain resolution 669830