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@@ -3,3 +3,60 @@ The R package **mkin** provides calculation routines for the analysis of chemical degradation data, including **m**ulticompartment **kin**etics as needed for modelling the formation and decline of transformation products. + +## Installation + +You can install the latest released version from +[CRAN](http://cran.r-project.org/package=mkin) from within R: + +```s +install.packages('mkin') +``` + +A development version is usually available from [R-Forge](http://r-forge.r-project.org/R/?group_id=615): + +```s +install.packages('mkin', repos = 'http://r-forge.r-project.org') +``` + +If R-Forge is lacking behind or if you prefer, you can install directly from +github using the `devtools` package: + +```s +require(devtools) +install_github("mkin", "jranke") +``` + +## Usage + +For a start, have a look at the examples provided in the +[mkinfit Documentation](http://kinfit.r-forge.r-project.org/mkin_static/mkinfit.html) +or the package vignettes referenced from the +[mkin package documentation page](http://kinfit.r-forge.r-project.org/mkin_static/mkinfit.html) + +## Credits + +`mkin` would not be possible without the underlying software stack consisting +of R and the packages [deSolve](http://cran.r-project.org/package=deSolve), +[minpack.lm](http://cran.r-project.org/package=minpack.lm) and +[FME](http://cran.r-project.org/package=FME), to say the least. + +Also, it was inspired by the first version of KinGUI developed by BayerCropScience, which is based +on the MatLab runtime environment. + +Bayer has developed a successor named KinGUII which is based on mkin, but which added, amongst other +refinements, a graphical user interface (GUI, which is not open source, iteratively +reweighted least squares (IRLS) optimisation of the variance for each of the observed variables, +and Markov Chain Monte Carlo (MCMC) simulation functionality, similar to what is available e.g. in the +`FME` package. + +Syngenta has sponsored the development of an mkin based GUI application called CAKE, which +adds IRLS and MCMC, is more limited in the model formulation, but puts more weight on usability. +CAKE is available for download from the [CAKE website](http://projects.tessella.com/cake), where +you can also find a zip archive of the R scripts derived from mkin, published under the GPL +license. + +Finally, I just noticed the github repositories +[StudyKin](http://github.com/zhenglei-gao/StudyKin) and +[KineticEval](http://github.com/zhenglei-gao/KineticEval), the latter of which appears to be +actively developed. |