Exhaustive Chemical Enumeration for Ultimate Formula Annotation

A pipeline to annotate a number of peaks from the IDSL.IPA peaklists using a exhaustive chemical enumeration-based approach.


Reference manual

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1.0.1 by Sadjad Fakouri-Baygi, 16 days ago

https://ufa.idsl.me, https://github.com/idslme/idsl.ufa

Report a bug at https://github.com/idslme/idsl.ufa/issues

Browse source code at https://github.com/cran/IDSL.UFAx

Authors: Sadjad Fakouri-Baygi [cre, aut] , Dinesh Barupal [aut]

Documentation:   PDF Manual  

MIT + file LICENSE license

Imports Rcpp, BiocManager, mzR, readxl, parallel, doSNOW, foreach, stringr, RcppAlgos, IDSL.IPA, IDSL.UFA

See at CRAN