From 7035cde3a53781721fe15a8893fdf328c789bdd2 Mon Sep 17 00:00:00 2001 From: Johannes Ranke Date: Mon, 7 Mar 2022 12:03:40 +0100 Subject: Remove nlmixr interface for release of mkin 1.1.0 I am postponing my attempts to get the nlmixr interface to CRAN, given some problems with nlmixr using R-devel under Windows, see https://github.com/nlmixrdevelopment/nlmixr/issues/596 and https://github.com/r-hub/rhub/issues/512, which is fixed by the removal of nlmixr from the testsuite. For the tests to be more platform independent, the biphasic mixed effects models test dataset was defined in a way that fitting should be more robust (less ill-defined). --- README.md | 13 ++++++++++--- 1 file changed, 10 insertions(+), 3 deletions(-) (limited to 'README.md') diff --git a/README.md b/README.md index 00223748..b55b0bc7 100644 --- a/README.md +++ b/README.md @@ -96,9 +96,16 @@ version is found in the ['dev' subdirectory](https://pkgdown.jrwb.de/mkin/dev/). interpretation of the model parameters. * Nonlinear mixed-effects models can be created from fits of the same degradation model to different datasets for the same compound by using the - [nlme.mmkin](https://pkgdown.jrwb.de/mkin/reference/nlme.mmkin.html) method. - Note that the convergence of the nlme fits depends on the quality of the data. - Convergence is better for simple models and data for many groups (e.g. soils). + [nlme.mmkin](https://pkgdown.jrwb.de/mkin/reference/nlme.mmkin.html) and + [saem.mmkin](https://pkgdown.jrwb.de/mkin/reference/saem.mmkin.html) and + methods. Note that the convergence of the nlme fits depends on the quality of + the data. Convergence is better for simple models and data for many groups + (e.g. soils). The saem method uses the `saemix` package as a backend. Analytical + solutions suitable for use with this package have been implemented for parent + only models and the most important models including one metabolite (SFO-SFO + and DFOP-SFO). Fitting other models with `saem.mmkin`, while it makes use + of the compiled ODE models that mkin provides, has longer run times (at least + six minutes on my system). ### Performance -- cgit v1.2.1