De Novo Molecular Structure Generation from Mass Spectra.

Yanmin Liu Xuan Zhang Wei Zhao Daming Zhu Xuefeng Cui

Published in: BIBM (2023)

Keyphrases

mass spectra
molecular structure
mass spectrometry
tandem mass spectra
similarity search
ovarian cancer
tandem mass spectrometry
rule learning
high throughput
high dimensional
data processing
monitoring system
data acquisition
protein sequences