BioinformaticsAnalytical ChemistryPeer-reviewed
Molecular structure discovery for untargeted metabolomics using biotransformation rules and global molecular networking
Margaret R. Martin, Wout Bittremieux, Soha Hassoun
This paper introduces BAM, a method using biotransformation rules to annotate untargeted metabolomics spectra, achieving 24.2% correct structure assignments in a large molecular network.
8 citations