The CcpNmr Analysis Simulated Metabolomics Database (CASMDB): An Open-Source Collection of Metabolite Annotation Data for 1D 1H NMR-Based Metabolomics
Morgan W. Hayward, Luca G. Mureddu, Gary S. Thompson, Marie M. Phelan, Edward J. Brooksbank, Geerten W. Vuister
The paper describes the creation of CASMDB, a database of metabolite annotations for 1D 1H NMR-based metabolomics, enabling accurate simulation and visualization of spectra.
Analytical Chemistry · Apr 21, 2026Peer-reviewedBiochemistry