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