The CcpNmr Analysis Simulated Metabolomics Database (CASMDB): An Open-Source Collection of Metabolite Annotation Data for 1D 1H NMR-Based Metabolomics
M. W. Hayward, L. G. Mureddu, G. Thompson, M. Phelan, E. J. Brooksbank, G. 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.
bioRxiv · May 5, 2024 · PreprintBiochemistry