DESCRIPTION

Package: dynafluxr
Type: Package
Title: Retrieve Reaction Rate Dynamics from Metabolite Concentration Time Courses
Version: 1.0.1
Authors@R: person(given = "Serguei",
                    family = "Sokol",
                    role = c("aut", "cre"),
                    email = "sokol@insa-toulouse.fr")
Description: 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().
License: GPL-2
Encoding: UTF-8
Depends: bspline (>= 2.5.0), nlsic (>= 1.1.1)
Imports: 
    optparse,
    qpdf,
    arrApply,
    slam,
    gmresls (>= 0.2),
    shiny,
    shinyjs,
    shinyFiles
RoxygenNote: 7.3.2
Suggests: RUnit, knitr
VignetteBuilder: knitr
NeedsCompilation: no