From 4aeef10690f4992f75f4ace0b6412a05a48b29fc Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Tue, 22 Oct 2019 14:36:06 +0200 Subject: Update README.html --- README.html | 35 ++++++++++++++++++++--------------- 1 file changed, 20 insertions(+), 15 deletions(-) (limited to 'README.html') diff --git a/README.html b/README.html index 3578674b..7aaf5deb 100644 --- a/README.html +++ b/README.html @@ -7,6 +7,7 @@ + @@ -268,7 +269,6 @@ code { } img { max-width:100%; - height: auto; } .tabbed-pane { padding-top: 12px; @@ -342,18 +342,6 @@ summary { } - - @@ -379,7 +367,7 @@ $(document).ready(function () {

mkin

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Build Status codecov

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Build Status codecov

The R package mkin provides calculation routines for the analysis of chemical degradation data, including multicompartment kinetics as needed for modelling the formation and decline of transformation products, or if several compartments are involved.

Installation

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The companion package kinfit (now deprecated) was started in 2008 and first published on CRAN on 01 May 2010.

The first mkin code was published on 11 May 2010 and the first CRAN version on 18 May 2010.

In 2011, Bayer Crop Science started to distribute an R based successor to KinGUI named KinGUII whose R code is based on mkin, but which added, amongst other refinements, a closed source graphical user interface (GUI), 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.

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Somewhat in parallel, Syngenta has sponsored the development of an mkin and KinGUII based GUI application called CAKE, which also 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, where you can also find a zip archive of the R scripts derived from mkin, published under the GPL license.

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Somewhat in parallel, Syngenta has sponsored the development of an mkin and KinGUII based GUI application called CAKE, which also 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, where you can also find a zip archive of the R scripts derived from mkin, published under the GPL license.

Finally, there is KineticEval, which contains a further development of the scripts used for KinGUII, so the different tools will hopefully be able to learn from each other in the future as well.

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