Pierre-Marie Allard · @grndstt
149 followers · 140 posts · Server fosstodon.org

In this work, we present a computational framework to process and integrate LC-MS/MS data (spectra, , chemical annotations, etc.) and metadata (taxonomy, bioactivity, etc.) of natural extracts into a single queryable connected to . Data are processed at the sample level, meaning you can always enrich your graph over time by adding newly acquired samples!

#molecularnetwork #knowledgegraph #wikidata #datareuse

Last updated 2 years ago