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author | Johannes Ranke <jranke@uni-bremen.de> | 2022-03-07 12:03:40 +0100 |
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committer | Johannes Ranke <jranke@uni-bremen.de> | 2022-03-07 14:55:21 +0100 |
commit | 7035cde3a53781721fe15a8893fdf328c789bdd2 (patch) | |
tree | a1e4929faf9d645caedc0ed4dcc5036252497c63 /README.md | |
parent | 77c248ca40b82ec00a756cd82f12968131f78959 (diff) |
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).
Diffstat (limited to 'README.md')
-rw-r--r-- | README.md | 13 |
1 files changed, 10 insertions, 3 deletions
@@ -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 |