diff options
Diffstat (limited to 'vignettes/prebuilt/2022_cyan_pathway.rmd')
| -rw-r--r-- | vignettes/prebuilt/2022_cyan_pathway.rmd | 23 |
1 files changed, 14 insertions, 9 deletions
diff --git a/vignettes/prebuilt/2022_cyan_pathway.rmd b/vignettes/prebuilt/2022_cyan_pathway.rmd index 8463c854..e7401f3e 100644 --- a/vignettes/prebuilt/2022_cyan_pathway.rmd +++ b/vignettes/prebuilt/2022_cyan_pathway.rmd @@ -1,7 +1,7 @@ --- title: "Testing hierarchical pathway kinetics with residue data on cyantraniliprole" author: Johannes Ranke -date: Last change on 20 April 2023, last compiled on `r format(Sys.time(), "%e +date: Last change on 13 February 2023, last compiled on `r format(Sys.time(), "%e %B %Y")` output: pdf_document: @@ -240,11 +240,12 @@ because it relies on the Fisher Information Matrix. illparms(f_saem_1) |> kable() ``` -The model comparison below suggests that the pathway fits using +The model comparisons below suggest that the pathway fits using DFOP or SFORB for the parent compound provide the best fit. ```{r, dependson = "f-saem-1"} -anova(f_saem_1) |> kable(digits = 1) +anova(f_saem_1[, "const"]) |> kable(digits = 1) +anova(f_saem_1[1:4, ]) |> kable(digits = 1) ``` For these two parent model, successful fits are shown below. Plots of the fits @@ -344,18 +345,21 @@ f_saem_2 <- mhmkin(list(f_sep_2_const, f_sep_2_tc), status(f_saem_2) |> kable() ``` -The hierarchical fits for the alternative pathway completed successfully. +The hierarchical fits for the alternative pathway completed successfully, with +the exception of the model using FOMC for the parent compound and constant +variance as the error model. ```{r dependson = "f-saem-2"} illparms(f_saem_2) |> kable() ``` -In both fits, the random effects for the formation fractions for the -pathways from JCZ38 to JSE76, and for the reverse pathway from JSE76 -to JCZ38 are ill-defined. +In all biphasic fits (DFOP or SFORB for the parent compound), the random +effects for the formation fractions for the pathways from JCZ38 to JSE76, and +for the reverse pathway from JSE76 to JCZ38 are ill-defined. ```{r dependson = "f-saem-2"} -anova(f_saem_2) |> kable(digits = 1) +anova(f_saem_2[, "tc"]) |> kable(digits = 1) +anova(f_saem_2[2:3,]) |> kable(digits = 1) ``` The variants using the biexponential models DFOP and SFORB for the parent @@ -423,7 +427,8 @@ illparms(f_saem_3) |> kable() ``` ```{r dependson = "f-saem-3"} -anova(f_saem_3) |> kable(digits = 1) +anova(f_saem_3[, "tc"]) |> kable(digits = 1) +anova(f_saem_3[2:3,]) |> kable(digits = 1) ``` While the AIC and BIC values of the best fit (DFOP pathway fit with |