The IDSM mass spectrometry extension: searching mass spectra using SPARQL.

0585417 - ÚOCHB 2025 RIV US eng J - Journal Article
Galgonek, Jakub - Vondrášek, Jiří
The IDSM mass spectrometry extension: searching mass spectra using SPARQL.
Bioinformatics. Roč. 40, č. 4 (2024), č. článku btae174. ISSN 1367-4803. E-ISSN 1460-2059
R&D Projects: GA MŠMT(CZ) LM2023055
EU Projects: European Commission(XE) 101082304 - BlueRemediomics
Institutional support: RVO:61388963
Keywords : web services * ontology * access
Impact factor: 5.8, year: 2022
Method of publishing: Open access
https://doi.org/10.1093/bioinformatics/btae174

SUMMARY: The Integrated Database of Small Molecules (IDSM) integrates data from small-molecule datasets, making them accessible through the SPARQL query language. Its unique feature is the ability to search for compounds through SPARQL based on their molecular structure. We extended IDSM to enable mass spectra databases to be integrated and searched for based on mass spectrum similarity. As sources of mass spectra, we employed the MassBank of North America (MoNA) database and the In Silico Spectral Database (ISDB) of natural products.
Permanent Link: https://hdl.handle.net/11104/0353130


Research data: GitHub