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IDSL.UFAx: 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.
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Package details |
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| Author | Sadjad Fakouri-Baygi [aut] (<https://orcid.org/0000-0002-6864-6911>), Dinesh Barupal [cre, aut] (<https://orcid.org/0000-0002-9954-8628>) |
| Maintainer | Dinesh Barupal <dinesh.barupal@mssm.edu> |
| License | MIT + file LICENSE |
| Version | 1.9.1 |
| URL | https://github.com/idslme/idsl.ufax |
| Package repository | View on CRAN |
| Installation |
Install the latest version of this package by entering the following in R:
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