Predicting Molecular Fingerprint from Electron-Ionization Mass Spectrum with Deep Neural Networks
Hongchao Ji, Hanzi Deng, Hongmei Lü, Zhimin Zhang
The paper introduces DeepEI, a deep learning method that predicts molecular fingerprints from EI-MS spectra to improve compound identification accuracy.
Analytical Chemistry · Jun 17, 2020Peer-reviewedBioinformatics