Chemically informed analyses of metabolomics mass spectrometry data with Qemistree

November 16th, 2020 by Anupriya Tripathi

Nature Chemical Biology, Published online: 16 November 2020; doi:10.1038/s41589-020-00677-3

Qemistree uses fragmentation spectra to predict molecular fingerprints and represent their relationships as a tree, enabling comparison of metabolomics data across different experimental conditions and exploration of chemical diversity in mixtures.
  • Posted in Nat Chem Biol, Publications
  • Comments Off on Chemically informed analyses of metabolomics mass spectrometry data with Qemistree