Reaction rate dynamics can be retrieved from metabolite concentration time courses. User has to provide corresponding stoichiometric matrix but not a regulation model (Michaelis-Menten or similar). Instead of solving an ordinary differential equation (ODE) system describing the evolution of concentrations, we use B-splines to catch the concentration and rate dynamics then solve a least square problem on their coefficients with non-negativity (and optionally monotonicity) constraints. Constraints can be also set on initial values of concentration. The package 'dynafluxr' can be used as a library but also as an application with command line interface dynafluxr::cli("-h") or graphical user interface dynafluxr::gui().
| Version: | 1.0.1 |
| Depends: | bspline (≥ 2.5.0), nlsic (≥ 1.1.1) |
| Imports: | optparse, qpdf, arrApply, slam, gmresls (≥ 0.2), shiny, shinyjs, shinyFiles |
| Suggests: | RUnit, knitr |
| Published: | 2025-07-10 |
| DOI: | 10.32614/CRAN.package.dynafluxr |
| Author: | Serguei Sokol [aut, cre] |
| Maintainer: | Serguei Sokol <sokol at insa-toulouse.fr> |
| License: | GPL-2 |
| Copyright: | see file COPYRIGHTS |
| NeedsCompilation: | no |
| Materials: | README, NEWS |
| CRAN checks: | dynafluxr results |
| Reference manual: | dynafluxr.html , dynafluxr.pdf |
| Vignettes: |
glyco (source, R code) |
| Package source: | dynafluxr_1.0.1.tar.gz |
| Windows binaries: | r-devel: dynafluxr_1.0.1.zip, r-release: dynafluxr_1.0.1.zip, r-oldrel: dynafluxr_1.0.1.zip |
| macOS binaries: | r-release (arm64): dynafluxr_1.0.1.tgz, r-oldrel (arm64): dynafluxr_1.0.1.tgz, r-release (x86_64): dynafluxr_1.0.1.tgz, r-oldrel (x86_64): dynafluxr_1.0.1.tgz |
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