MWFormer: Estimation of Molecular Weights from Electron Ionization Mass Spectra for Improved Library Searching.
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DOI: 10.1021/acs.analchem.4c03781
Abstract: Molecular weight (MW) is a crucial property to improve the accuracy of multidimensional compound identification. In this study, we have developed MWFormer, a novel method that predicts MWs solely from spectra of electron ionization mass… read more here.
Keywords: compound identification; mwformer; ionization mass; electron ionization ... See more keywords