Goals

  • Generate a set of novel plausible chemical structure from the initial set of know NPs chemical structure found in LOTUS.
  • Generate in silico fragmentation spectra for the generated chemical structures.
  • Serve the generated chemical structure in a web portal using the MINES server as a backend.
  • Attribute plausible biological sources to the generated structures.
  • Explore the possibility of biochemical rules edition / curation.

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