Supervised topic modeling for predicting molecular substructure from mass spectrometry.
Gabriel RederAdamo YoungJaan AltosaarJakub RajniakNoémie ElhadadMichael FischbachSusan HolmesPublished in: F1000Research (2021)
Keyphrases
- mass spectrometry
- topic modeling
- high throughput
- topic models
- mass spectrometry data
- drug discovery
- interaction networks
- latent dirichlet allocation
- text mining
- mass spectra
- collaborative filtering
- semi supervised
- text classification
- supervised learning
- learning algorithm
- proteomic data
- machine learning
- unsupervised learning
- systems biology
- time of flight
- generative model
- discovery process
- text documents
- co occurrence
- information extraction
- databases