Exhaustive Chemical Enumeration for United Formula Annotation

A pipeline to annotate a number of peaks from the 'IDSL.IPA' peaklists using an exhaustive chemical enumeration-based approach. This package can perform elemental composition calculations using the following 15 elements : C, B, Br, Cl, K, S, Si, N, H, As, F, I, Na, O, and P.


Reference manual

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install.packages("IDSL.UFAx")

1.9.1 by Dinesh Barupal, 4 years ago


https://github.com/idslme/idsl.ufax


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


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


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


Documentation:   PDF Manual  


MIT + file LICENSE license


Imports IDSL.IPA, IDSL.UFA, readxl, RcppAlgos


See at CRAN