Resources
Developed and maintained by our team :
Software (online and local installation)
IDSL.IPA: Intrinsic Peak Analyzer, R package : ( https://cran.r-project.org/package=IDSL.IPA ), https://pubs.acs.org/doi/10.1021/acs.jproteome.2c00120
IDSL.UFA: United Formula Annotation , R package: ( https://cran.r-project.org/package=IDSL.UFA ) https://pubs.acs.org/doi/full/10.1021/acs.analchem.2c00563
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/
IDSL.GOA : (Gene Ontology Analysis) (www.goa.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/
Databases
IDSL.XDB: The Blood Exposome Database - www.bloodexposome.org
IDSL.CCDB: Chemical Correlation Database : www.ccdb.idsl.me
IDSL.SPECDB : A mass spectral database and online search engine. (www.specdb.idsl.site)
Chemical Space of Pesticides: http://pesticide.barupal.org/
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 )
Google colab notebooks:
MetaMapp : https://colab.research.google.com/drive/1UsN73MOhXn1lTxYKyWEsfb2gsI_t1sfj?usp=sharing
ChemRICH guided forest plots: https://colab.research.google.com/drive/10nExt5BNNy18WtJltgvG9HK20MpxAYCI?usp=sharing
ChemRICH for correlation modules: https://colab.research.google.com/drive/18YYgPH_UdZSbFlv0nWklQY6VL1KKNzHi?usp=sharing
IDSL.MXP and EIC explorer : https://colab.research.google.com/drive/1x4pzZ69qctzCSNeQ2YmIF__J19NEpII-?usp=sharing
Chemical prioritization : https://colab.research.google.com/drive/1Yz4CQaFeTul6Svx-YBtZX3Py1TK6UskC?usp=sharing
Simple PCA : https://colab.research.google.com/drive/1XpEBumtSK3mY-scD1xXkb7b66p349_z4#scrollTo=siFxHLHy0mKs
*Launch google colab in R mode : rcolab.barupal.com (it's a re-direct)*