biostudies-literatureGaudry AMinisterie van Buitenlandse ZakenSchweizerischer Nationalfonds zur F??rderung der Wissenschaftlichen ForschungSwiss National Science FoundationGovernment of the United KingdomSwiss Open Research Data GrantsBundesministerium f??r Bildung und Forschung494-510https://www.ebi.ac.uk/biostudies/studies/S-EPMC10979503biostudies-literatureUnknown10(3)The ENPKG framework organizes large heterogeneous metabolomics data sets as a knowledge graph, offering exciting opportunities for drug discovery and chemodiversity characterization.ACS central scienceA Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery.PMC10979503164095CRSII5_189921/1316030189921Mehl FIoset JRQuiros-Guerrero LMPagni MQueiroz EFCappelletti LDavid BAllard PMMoretti SWolfender JLGaudry AGrondin AMarcourt LRutz AKaiser MfalseA Sample-Centric and Knowledge-Driven Computational Framework for Natural Products Drug Discovery.The ENPKG framework organizes large heterogeneous metabolomics data sets as a knowledge graph, offering exciting opportunities for drug discovery and chemodiversity characterization.2024-01-01T00:00:00Z2024 Mar2026-05-29T12:03:18.035Z2025-04-06T07:46:37.76ZS-EPMC109795033855929810.1021/acscentsci.3c00800