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

0585417 - ÚOCHB 2025 RIV US eng J - Článek v odborném periodiku
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
Grant CEP: GA MŠMT(CZ) LM2023055
GRANT EU: European Commission(XE) 101082304 - BlueRemediomics
Institucionální podpora: RVO:61388963
Klíčová slova: web services * ontology * access
Impakt faktor: 5.8, rok: 2022
Způsob publikování: 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.
Trvalý link: https://hdl.handle.net/11104/0353130


Vědecká data: GitHub