add_err |
Add normally distributed errors to simulated kinetic degradation data |
AIC.mmkin |
Calculated the AIC for a column of an mmkin object |
backtransform_odeparms |
Functions to transform and backtransform kinetic parameters for fitting |
CAKE_export |
Export a list of datasets format to a CAKE study file |
DFOP.solution |
Double First-Order in Parallel kinetics |
endpoints |
Function to calculate endpoints for further use from kinetic models fitted with mkinfit |
experimental_data_for_UBA_2019 |
Experimental datasets used for development and testing of error models |
FOCUS_2006_A |
Datasets A to F from the FOCUS Kinetics report from 2006 |
FOCUS_2006_B |
Datasets A to F from the FOCUS Kinetics report from 2006 |
FOCUS_2006_C |
Datasets A to F from the FOCUS Kinetics report from 2006 |
FOCUS_2006_D |
Datasets A to F from the FOCUS Kinetics report from 2006 |
FOCUS_2006_DFOP_ref_A_to_B |
Results of fitting the DFOP model to Datasets A to B of FOCUS (2006) |
FOCUS_2006_E |
Datasets A to F from the FOCUS Kinetics report from 2006 |
FOCUS_2006_F |
Datasets A to F from the FOCUS Kinetics report from 2006 |
FOCUS_2006_FOMC_ref_A_to_F |
Results of fitting the FOMC model to Datasets A to F of FOCUS (2006) |
FOCUS_2006_HS_ref_A_to_F |
Results of fitting the HS model to Datasets A to F of FOCUS (2006) |
FOCUS_2006_SFO_ref_A_to_F |
Results of fitting the SFO model to Datasets A to F of FOCUS (2006) |
FOMC.solution |
First-Order Multi-Compartment kinetics |
geometric_mean |
Calculate the geometric mean |
HS.solution |
Hockey-Stick kinetics |
ilr |
Function to perform isometric log-ratio transformation |
invilr |
Function to perform isometric log-ratio transformation |
IORE.solution |
Indeterminate order rate equation kinetics |
logistic.solution |
Logistic kinetics |
logLik.mkinfit |
Calculated the log-likelihood of a fitted mkinfit object |
max_twa_parent |
Function to calculate maximum time weighted average concentrations from kinetic models fitted with mkinfit |
mccall81_245T |
Datasets on aerobic soil metabolism of 2,4,5-T in six soils |
mkinds |
A dataset class for mkin |
mkinerrmin |
Calculate the minimum error to assume in order to pass the variance test |
mkinerrplot |
Function to plot squared residuals and the error model for an mkin object |
mkinfit |
Fit a kinetic model to data with one or more state variables |
mkinmod |
Function to set up a kinetic model with one or more state variables |
mkinparplot |
Function to plot the confidence intervals obtained using mkinfit |
mkinplot |
Plot the observed data and the fitted model of an mkinfit object |
mkinpredict |
Produce predictions from a kinetic model using specific parameters |
mkinpredict.mkinfit |
Produce predictions from a kinetic model using specific parameters |
mkinpredict.mkinmod |
Produce predictions from a kinetic model using specific parameters |
mkinresplot |
Function to plot residuals stored in an mkin object |
mkinsub |
Function to set up a kinetic submodel for one state variable |
mkin_long_to_wide |
Convert a dataframe from long to wide format |
mkin_wide_to_long |
Convert a dataframe with observations over time into long format |
mmkin |
Fit one or more kinetic models with one or more state variables to one or more datasets |
nafta |
Evaluate parent kinetics using the NAFTA guidance |
NAFTA_SOP_Appendix_B |
Example datasets from the NAFTA SOP published 2015 |
NAFTA_SOP_Appendix_D |
Example datasets from the NAFTA SOP published 2015 |
NAFTA_SOP_Attachment |
Example datasets from Attachment 1 to the NAFTA SOP published 2015 |
plot.mkinfit |
Plot the observed data and the fitted model of an mkinfit object |
plot.mmkin |
Plot model fits (observed and fitted) and the residuals for a row or column of an mmkin object |
plot.nafta |
Plot the results of the three models used in the NAFTA scheme. The plots are ordered with increasing complexity of the model in this function (SFO, then IORE, then DFOP). |
plot_sep |
Plot the observed data and the fitted model of an mkinfit object |
print.mkinds |
Print mkinds objects |
print.mkinmod |
Print mkinmod objects |
print.nafta |
Print nafta objects |
print.summary.mkinfit |
Summary method for class "mkinfit" |
schaefer07_complex_case |
Metabolism data set used for checking the software quality of KinGUI |
schaefer07_complex_results |
Metabolism data set used for checking the software quality of KinGUI |
SFO.solution |
Single First-Order kinetics |
SFORB.solution |
Single First-Order Reversible Binding kinetics |
sigma_twocomp |
Two component error model |
summary.mkinfit |
Summary method for class "mkinfit" |
synthetic_data_for_UBA_2014 |
Synthetic datasets for one parent compound with two metabolites |
test_data_from_UBA_2014 |
Three experimental datasets from two water sediment systems and one soil |
transform_odeparms |
Functions to transform and backtransform kinetic parameters for fitting |
[.mmkin |
Subsetting method for mmkin objects |