patRoon: open source software platform for environmental mass spectrometry based non-target screening.
Rick HelmusThomas L. ter LaakAnnemarie P. van WezelPim de VoogtEmma SchymanskiPublished in: J. Cheminformatics (2021)
Keyphrases
- software platform
- mass spectrometry
- open source
- drug discovery
- mass spectrometry data
- high throughput
- proteomic data
- mass spectra
- interaction networks
- script language
- ovarian cancer
- spectral data
- tandem mass spectrometry
- real time
- intelligent agents
- high dimensional
- graphical user interfaces
- pattern classification
- early stage
- ms ms
- microarray
- infrared