invivoPKfit2.0.2 package

Fits Toxicokinetic Models to In Vivo PK Data Sets

AAFE.default

Default method for AAFE()

AAFE.pk

Calculate absolute average fold error (AAFE)

AAFE

AAFE()

add_pk

Add various pkproto objects to a pk object

AFE.default

Default method for AFE()

AFE.pk

Calculate average fold error

AFE

AFE()

AIC.pk

Akaike information criterion

auc_1comp_cl

Analytic AUC for 1-compartment model with specific clearance

auc_1comp

Analytic AUC for 1-compartment model

auc_2comp

Analytical AUC for the 2-compartment model

auc_flat

AUC for flat model

auto_units

Automatically select new time units

BIC.pk

Bayesian information criterion

calc_hessian

Calculate Hessian

calc_nca

Non-compartmental analysis

calc_rmse

Calculate RMSE (root mean squared error)

calc_rsq

Calculate r-squared for observed vs. predicted values

calc_sds_alerts

Calculate parameter SDs

check_method

Check methods

check_model

Check models

check_newdata

Check new data

check_params_1comp_cl

Check 1-compartment model parameters

check_params_1comp

Check 1-compartment model parameters

check_params_2comp

Check 2-compartment model parameters

check_params_flat

Check flat model parameters

check_required_status.default

Default method for checking required status

check_required_status.pk

Check required status

check_required_status

Check required status

coef_sd.default

Coefficient standard deviation default

coef_sd.pk

Get coefficient standard deviations

coef_sd

Coefficient standard deviations

coef.pk

Get coefficients

combined_sd

Combined standard deviation

compare_models.default

Default method for compare_models()

compare_models.pk

Model comparison for [pk()] objects

compare_models

Model comparison

conc_scale_use

Get concentration scalings

convert_summary_to_log10

Convert sample mean and SD to log10-scale

convert_time

Helper function to convert time units

cp_1comp_cl

Analytical 1-compartment model with specific clearance

cp_1comp

Analytical 1-compartment model

cp_2comp_dt

Time derivative of analytical 2-compartment model

cp_2comp

Analytical 2-compartment model

cp_flat

Flat model

data_summary.default

Default method for data_summary()

data_summary.pk

Data summary for a pk object

data_summary

data_summary()

dlnorm_summary

Log-normal distribution density function for summary data

dnorm_summary

Normal distribution density function for summary data

do_data_info.default

do_data_info default method

do_data_info.pk

calculate summary data info

do_data_info

do_data_info generic

do_fit.default

do_fit default method

do_fit.pk

Do fitting

do_fit

Fitting

do_prefit.default

do_prefit default method

do_prefit.pk

Do pre-fitting

do_prefit

Prefitting

do_preprocess.default

do_preprocess default method

do_preprocess.pk

Do pre-processing

do_preprocess

Preprocess data generic

dot-pk

Subtract a pkproto object from a pk object

eval_tkstats.default

Default method for eval_tkstats()

eval_tkstats.pk

Evaluate TK statistics

eval_tkstats

eval_tkstats()

facet_data

Facet a PK fit

fill_params_1comp_cl

Fill parameters for 1-compartment model with specific clearance

fill_params_1comp

Fill parameters for 1-compartment model

fill_params_2comp

Fill parameters for 2-compartment model

fill_params_flat

Fill parameters for flat model

fit_group

Fit a single group of data

fold_error.default

fold_error default method

fold_error.pk

Fold errors

fold_error

Fold error

get_data_group.default

Default method for get_data_group()

get_data_group.pk

Get data grouping

get_data_group

get_data_group()

get_data_info.default

Default method for get_data_info()

get_data_info.pk

Get data_info

get_data_info

get_data_info()

get_data_original.default

Default method for get_data_original()

get_data_original.pk

Get data_original

get_data_original

get_data_original()

get_data_sigma_group.default

Default method for get_data_sigma_group()

get_data_sigma_group.pk

Get data_sigma_group

get_data_sigma_group

get_data_sigma_group()

get_data_summary.default

Default method for get_data_summary()

get_data_summary

get_data_summary()

get_data.default

Default method for get_data()

get_data.pk

Get data

get_data

get_data()

get_elbow

Get an elbow point

get_error_group.default

Default method for get_error_group()

get_error_group.pk

Get error group

get_error_group

get_error_group()

get_fit.default

Default method for get_fit()

get_fit.pk

Get fits from a pk object

get_fit

get_fit()

get_hessian.default

Default method for get_hessian()

get_hessian.pk

Get Hessian matrixes

get_hessian

get_hessian()

get_mapping.default

Default method for get_mapping()

get_mapping.pk

Get mapping

get_mapping

get_mapping()

get_nca.default

Default method for get_nca()

get_nca.pk

Get NCA

get_nca

get_nca()

get_params_1comp_cl

Get parameters for 1-compartment model with clearance assumption

get_params_1comp_fup

Get parameters for 1-compartment model with clearance assumption

get_params_1comp

Get parameters for 1-compartment model

get_params_2comp

Get parameters for 2-compartment model

get_params_flat

Get parameters to be optimized for flat model

get_peak

Find the peak of a data series

get_prefit.default

Default method for get_prefit()

get_prefit.pk

Get prefit

get_prefit

get_prefit()

get_scale_conc.default

Default method for get_scale_conc()

get_scale_conc.pk

Get scale_conc

get_scale_conc

get_scale_conc()

get_scale_time.default

Default method for get_scale_time()

get_scale_time.pk

Get scale_time

get_scale_time

get_scale_time()

get_settings_data_info.default

Default method for get_settings_data_info()

get_settings_data_info.pk

Get settings_data_info

get_settings_data_info

get_settings_data_info()

get_settings_optimx.default

Default method for get_settings_optimx()

get_settings_optimx.pk

Get settings_optimx

get_settings_optimx

get_settings_optimx()

get_settings_preprocess.default

Default method for get_settings_preprocess()

get_settings_preprocess.pk

Get settings_preprocess

get_settings_preprocess

get_settings_preprocess()

get_starts_1comp_cl

Get starting values for 1-compartment model with specific clearance

get_starts_1comp_fup

Get starting values for 1-compartment model with specific clearance

get_starts_1comp

Get starting values for 1-compartment model

get_starts_2comp

Get starting values for 2-compartment model

get_starts_flat

Get starting values for flat model

get_stat_error_model.default

Default method for get_stat_error_model()

get_stat_error_model.pk

Get stat_error_model

get_stat_error_model

get_stat_error_model()

get_stat_model.default

Default method for get_stat_model()

get_stat_model.pk

Get stat_model

get_stat_model

get_stat_model()

get_status.default

Default method for getting status

get_status.pk

Check status of a pk object

get_status

Get status

get_tkstats.default

Default method for get_tkstats()

get_tkstats.pk

Get TK stats

get_tkstats

Get TK stats

get_winning_model.default

Default method for get_winning_model()

get_winning_model.pk

Get winning model

get_winning_model

get_winning_model()

hess_sd1

Inverse diagonal, method 1

hess_sd2

Inverse diagonal, method 2

ignore_unused_imports

Ignore unused imports

invivoPKfit

invivoPKfit: A package to fit model parameters to in vivo data

is.pk_faceted

Check whether an object is of class pk_faceted

is.pk_scales

Is an object class pk_scales?

is.pk

Check whether an object is of class pk

is.pkproto

Is an object pkproto?

log_likelihood

Log-likelihood

logLik.pk

Log-likelihood

mapping

New mapping

midpt_log10

Log10-scaled midpoint

nca.default

Default method for nca()

nca.pk

NCA for a pk object

nca

nca()

pk_add.default

Add pkproto object default method

pk_add.pk_facet_data

Add facet_data()

pk_add.pk_scales

Add a pk_scales object to a pk object.

pk_add.pk_settings_data_info

Add a pk_settings_data_info object.

pk_add.pk_settings_optimx

Add a pk_settings_optimx object.

pk_add.pk_settings_preprocess

Add a pk_settings_preprocess object.

pk_add.pk_stat_error_model

Add a pk_stat_error_model object.

pk_add.pk_stat_model

Add a pk_stat_model object.

pk_add

Add a pkproto object to a pk object

pk_add.uneval

Add an uneval object

pk_model

Create a new pk_model object

pk_subtract.default

Subtract pkproto object default method

pk_subtract.pk_stat_model

Subtract a pk_stat_model object.

pk_subtract

Subtract a pkproto object from a pk object

pk

Create a new pk object

plot.pk

Plot a [pk()] object.

plus-.pk

Add a pkproto object to a pk object

predict.pk

Get predictions

print.pk

Print a user-friendly version of a pk object

rename2_cvt

Convert invivoPKfit output table names to the CvTdb names

residuals.pk

Get residuals

rmse.default

Root mean squared error (RMSE) default method

rmse.pk

Root mean squared error

rmse

Root mean squared error (RMSE)

rowwise_calc_percentages

Helper function for calculating percentages of count data, by row

rsq.default

Default method for rsq()

rsq.pk

Calculate R-squared for observed vs. predicted values

rsq

rsq()

scale_conc

Scale concentrations

scale_time

Scale times

settings_data_info

Data info settings

settings_optimx

optimx optimizer settings

settings_preprocess

Data preprocessing settings

stat_error_model

Error model

stat_model

Add PK model(s) to be fitted

subtract_pk

Subtract various pkproto objects from a pk object

summary.pk

Print summary of a pk object

tkstats_1comp_cl

Toxicokinetic statistics for 1-compartment model with specific clearan...

tkstats_1comp

Toxicokinetic statistics for 1-compartment model

tkstats_2comp

Toxicokinetic statistics for 1-compartment model

tkstats_flat

TK stats for flat model

transformed_params_2comp

Transformed parameters for 2-compartment model

twofold_test.default

Default method for twofold_test()

twofold_test.pk

Evaluate whether data and predictions are within two-fold of mean or c...

twofold_test

twofold_test()

Takes in vivo toxicokinetic concentration-time data and fits parameters of 1-compartment and 2-compartment models for each chemical. These methods are described in detail in "Informatics for Toxicokinetics" (2025).

  • Maintainer: John Wambaugh
  • License: GPL-3
  • Last published: 2025-08-26