Resources

Developed and maintained by our team :

IDSL_MINT : Deep learning framework for predicting molecular fingerprints from a spectra ( https://github.com/idslme/IDSL_MINT )
IDSL.GOA : (Gene Ontology Analysis) (www.goa.idsl.me)
IDSL.IPA: Intrinsic Peak Analyzer, R package : ( https://cran.r-project.org/package=IDSL.IPA ),
IDSL.UFA: United Formula Annotation , R package: ( https://cran.r-project.org/package=IDSL.UFA )
IDSL.UFAx : Exhaustive Formula Annotation for ions to formula. R package, ( https://cran.r-project.org/package=IDSL.UFAx )
IDSL.FSA : Fragmentation Spectra Analysis (https://cran.r-project.org/package=IDSL.FSA)
IDSL.CSA : Composite Spectra Analysis (https://cran.r-project.org/package=IDSL.CSA)
IDSL.MXP : A light-weight MzML/MzXML parser (r-package) ( https://cran.r-project.org/package=IDSL.MXP )
IDSL.IPC: (Isotopic Profile Calculator) https://ipc.idsl.me/
IARC Monographs Agent Prioritization : (https://cancer.idsl.me/ )
ChemRICH for chemical set enrichment analysis : (https://chemrich.idsl.me/ )
MetaMapp for metabolic network mapping : https://github.com/barupal/metamapp
NCBI Query Tool : an online interface to query NCBI database https://nqt.idsl.site/

A list of metabolite names in the Metabolomics Workbench repository (https://zenodo.org/record/5860638#.YizHvdXMKpo)
A list of metabolite names in the EBI Metabolights repository (https://zenodo.org/record/5879988#.YizH4dXMKpo)
A list of metabolite names reported by Metabolon's assay in open-access papers (https://zenodo.org/record/5893535#.YizHvNXMKpo)
Compounds in the blood exposome database w/o DDA spectra (https://zenodo.org/record/5933345#.YizIJNXMKpo)
High priority chemicals for exposomics that need to be included in the public mass spectral repositories. ( https://zenodo.org/record/6002512#.YizITdXMKpo )