MSMICA: computational metabolite identification in untargeted metabolomics by integrating MS, retention time, and biological evidence
Jiada James Zhan, Jaclyn Weinberg, William J. Crandall, Zhaohui Steve Qin, Zachery Ryan Jarrell, Joshua D. Preston, Mary Nellis, Sami Nadeem Teeny, Donghai Liang, Greg S. Martin, Nathan L. Price, Rafael de Cabo, Viraj A. Master, Barbara A. Cohn, Young-Mi Go, Dean P. Jones
MSMICA improves metabolite identification in untargeted metabolomics by integrating mass spectrometry data, retention time, and biological evidence, achieving high accuracy across mammalian datasets.
bioRxiv · Aug 20, 2026 · PreprintBioinformatics