Package: invivoPKfit 2.0.0

invivoPKfit: Fits Toxicokinetic Models to In Vivo PK Data Sets

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" (submitted).

Authors:John Wambaugh [aut, cre], Caroline Ring [aut], Gilberto Padilla Mercado [aut], Chris Cook [aut]

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NEWS

# Install 'invivoPKfit' in R:
install.packages('invivoPKfit', repos = c('https://jfwambaugh.r-universe.dev', 'https://cloud.r-project.org'))

Peer review:

Datasets:

On CRAN:

This package does not link to any Github/Gitlab/R-forge repository. No issue tracker or development information is available.

2.60 score 2 scripts 73 exports 139 dependencies

Last updated 6 days agofrom:83d7491364. Checks:3 OK, 4 NOTE. Indexed: yes.

TargetResultLatest binary
Doc / VignettesOKJan 10 2025
R-4.5-winOKJan 10 2025
R-4.5-linuxOKJan 10 2025
R-4.4-winNOTEJan 10 2025
R-4.4-macNOTEJan 10 2025
R-4.3-winNOTEJan 10 2025
R-4.3-macNOTEJan 10 2025

Exports:AAFEadd_pkAFEauc_1compauc_2compauc_flatauto_unitscalc_ncacheck_required_statuscoef_sdcompare_modelsconvert_summary_to_log10convert_timecp_1compcp_2compcp_2comp_dtcp_flatdata_summarydlnorm_summarydnorm_summarydo_data_infodo_fitdo_prefitdo_preprocesseval_tkstatsfacet_datafold_errorget_dataget_data_groupget_data_infoget_data_originalget_data_sigma_groupget_data_summaryget_error_groupget_fitget_hessianget_mappingget_ncaget_prefitget_scale_concget_scale_timeget_settings_data_infoget_settings_optimxget_settings_preprocessget_stat_error_modelget_stat_modelget_statusget_tkstatsget_winning_modelis.pkis.pk_facetedis.pk_scalesis.pkprotolog_likelihoodmappingncapkpk_addpk_modelpk_subtractrmsersqscale_concsettings_data_infosettings_preprocessstat_error_modelsubtract_pktkstats_1comptkstats_1comp_cltkstats_2comptkstats_flattransformed_params_2comptwofold_test

Dependencies:askpassbase64encBHbrewbriobslibcachemcallrclicliprcolorspacecommonmarkcpp11crayoncredentialscurldata.tableDBIdescdeSolvedevtoolsdiffobjdigestdownlitdplyrellipsisevaluateexpmfansifarverfastmapfontawesomefsgenericsgertggplot2ghgitcredsgluegtablehighrhtmltoolshtmlwidgetshttkhttpuvhttr2iniisobandjquerylibjsonliteknitrlabelinglaterlatticelifecyclemagrittrMASSMatrixmemoisemgcvmimeminiUIminqamitoolsmsmmultidplyrmunsellmvtnormnlmenloptrnumDerivopenssloptimxpillarPKpkgbuildpkgconfigpkgdownpkgloadpracmapraiseprettyunitsprocessxprofvispromisespspurrrqsR6raggRApiSerializerappdirsrbibutilsrcmdcheckRColorBrewerRcppRcppArmadilloRcppParallelRdpackremotesrlangrmarkdownroxygen2rprojrootrstudioapirversionssassscalessessioninfoshinysourcetoolsstringfishstringistringrsurveysurvivalsyssystemfontstestthattextshapingtibbletidyrtidyselecttinytextruncnormurlcheckerusethisutf8vctrsviridisLitewaldowhiskerwithrxfunxml2xopenxtableyamlzip

Manuscript Figures and Tables

Rendered frommanuscript2024_final.Rmdusingknitr::rmarkdownon Jan 10 2025.

Last update: 2025-01-09
Started: 2025-01-09

User Guide

Rendered frommain_vignette.Rmdusingknitr::rmarkdownon Jan 10 2025.

Last update: 2025-01-09
Started: 2025-01-09

manuscript2023

Rendered frommanuscript2023.Rmdusingknitr::rmarkdownon Jan 10 2025.

Last update: 2025-01-09
Started: 2025-01-09

Wambaugh et al. (2018): Estimating TK Parameters from In Vivo Data

Rendered frommainfit.Rmdusingknitr::rmarkdownon Jan 10 2025.

Last update: 2025-01-09
Started: 2025-01-09

Readme and manuals

Help Manual

Help pageTopics
Subtract a pkproto object from a pk object-.pk
Add a `pkproto` object to a `pk` object+.pk
AAFE()AAFE
Default method for AAFE()AAFE.default
Calculate absolute average fold error (AAFE)AAFE.pk
Add various `pkproto` objects to a `pk` objectadd_pk
AFE()AFE
Default method for AFE()AFE.default
Calculate average fold errorAFE.pk
Akaike information criterionAIC.pk
Analytic AUC for 1-compartment modelauc_1comp
Analytic AUC for 1-compartment model with specific clearanceauc_1comp_cl
Analytical AUC for the 2-compartment modelauc_2comp
AUC for flat modelauc_flat
Automatically select new time unitsauto_units
Bayesian information criterionBIC.pk
Calculate Hessiancalc_hessian
Non-compartmental analysiscalc_nca
Calculate RMSE (root mean squared error)calc_rmse
Calculate r-squared for observed vs. predicted valuescalc_rsq
Calculate parameter SDscalc_sds_alerts
Check methodscheck_method
Check modelscheck_model
Check new datacheck_newdata
Check 1-compartment model parameterscheck_params_1comp
Check 1-compartment model parameterscheck_params_1comp_cl
Check 2-compartment model parameterscheck_params_2comp
Check flat model parameterscheck_params_flat
Check required statuscheck_required_status
Default method for checking required statuscheck_required_status.default
Check required statuscheck_required_status.pk
Coefficient standard deviationscoef_sd
Coefficient standard deviation defaultcoef_sd.default
Get coefficient standard deviationscoef_sd.pk
Get coefficientscoef.pk
Combined standard deviationcombined_sd
Model comparisoncompare_models
Default method for compare_models()compare_models.default
Model comparison for [pk()] objectscompare_models.pk
Get concentration scalingsconc_scale_use
Convert sample mean and SD to log10-scaleconvert_summary_to_log10
Helper function to convert time unitsconvert_time
Analytical 1-compartment modelcp_1comp
Analytical 1-compartment model with specific clearancecp_1comp_cl
Analytical 2-compartment modelcp_2comp
Time derivative of analytical 2-compartment modelcp_2comp_dt
Flat modelcp_flat
CvTdb datacvt
CvTdb download datecvt_date
data_summary()data_summary
Default method for data_summary()data_summary.default
Data summary for a `pk` objectdata_summary.pk
Log-normal distribution density function for summary datadlnorm_summary
Normal distribution density function for summary datadnorm_summary
do_data_info genericdo_data_info
do_data_info default methoddo_data_info.default
calculate summary data infodo_data_info.pk
Fittingdo_fit
do_fit default methoddo_fit.default
Do fittingdo_fit.pk
Prefittingdo_prefit
do_prefit default methoddo_prefit.default
Do pre-fittingdo_prefit.pk
Preprocess data genericdo_preprocess
do_preprocess default methoddo_preprocess.default
Do pre-processingdo_preprocess.pk
eval_tkstats()eval_tkstats
Default method for eval_tkstats()eval_tkstats.default
Evaluate TK statisticseval_tkstats.pk
Facet a PK fitfacet_data
Fill parameters for 1-compartment modelfill_params_1comp
Fill parameters for 1-compartment model with specific clearancefill_params_1comp_cl
Fill parameters for 2-compartment modelfill_params_2comp
Fill parameters for flat modelfill_params_flat
Fit a single group of datafit_group
Fold errorfold_error
fold_error default methodfold_error.default
Fold errorsfold_error.pk
get_data()get_data
get_data_group()get_data_group
Default method for get_data_group()get_data_group.default
Get data groupingget_data_group.pk
get_data_info()get_data_info
Default method for get_data_info()get_data_info.default
Get data_infoget_data_info.pk
get_data_original()get_data_original
Default method for get_data_original()get_data_original.default
Get data_originalget_data_original.pk
get_data_sigma_group()get_data_sigma_group
Default method for get_data_sigma_group()get_data_sigma_group.default
Get data_sigma_groupget_data_sigma_group.pk
get_data_summary()get_data_summary
Default method for get_data_summary()get_data_summary.default
Default method for get_data()get_data.default
Get dataget_data.pk
Get an elbow pointget_elbow
get_error_group()get_error_group
Default method for get_error_group()get_error_group.default
Get error groupget_error_group.pk
get_fit()get_fit
Default method for get_fit()get_fit.default
Get fits from a `pk` objectget_fit.pk
get_hessian()get_hessian
Default method for get_hessian()get_hessian.default
Get Hessian matrixesget_hessian.pk
get_mapping()get_mapping
Default method for get_mapping()get_mapping.default
Get mappingget_mapping.pk
get_nca()get_nca
Default method for get_nca()get_nca.default
Get NCAget_nca.pk
Get parameters for 1-compartment modelget_params_1comp
Get parameters for 1-compartment model with clearance assumptionget_params_1comp_cl
Get parameters for 1-compartment model with clearance assumptionget_params_1comp_fup
Get parameters for 2-compartment modelget_params_2comp
Get parameters to be optimized for flat modelget_params_flat
Find the peak of a data seriesget_peak
get_prefit()get_prefit
Default method for get_prefit()get_prefit.default
Get prefitget_prefit.pk
get_scale_conc()get_scale_conc
Default method for get_scale_conc()get_scale_conc.default
Get scale_concget_scale_conc.pk
get_scale_time()get_scale_time
Default method for get_scale_time()get_scale_time.default
Get scale_timeget_scale_time.pk
get_settings_data_info()get_settings_data_info
Default method for get_settings_data_info()get_settings_data_info.default
Get settings_data_infoget_settings_data_info.pk
get_settings_optimx()get_settings_optimx
Default method for get_settings_optimx()get_settings_optimx.default
Get settings_optimxget_settings_optimx.pk
get_settings_preprocess()get_settings_preprocess
Default method for get_settings_preprocess()get_settings_preprocess.default
Get settings_preprocessget_settings_preprocess.pk
Get starting values for 1-compartment modelget_starts_1comp
Get starting values for 1-compartment model with specific clearanceget_starts_1comp_cl
Get starting values for 1-compartment model with specific clearanceget_starts_1comp_fup
Get starting values for 2-compartment modelget_starts_2comp
Get starting values for flat modelget_starts_flat
get_stat_error_model()get_stat_error_model
Default method for get_stat_error_model()get_stat_error_model.default
Get stat_error_modelget_stat_error_model.pk
get_stat_model()get_stat_model
Default method for get_stat_model()get_stat_model.default
Get stat_modelget_stat_model.pk
Get statusget_status
Default method for getting statusget_status.default
Check status of a `pk` objectget_status.pk
Get TK statsget_tkstats
Default method for get_tkstats()get_tkstats.default
Get TK statsget_tkstats.pk
get_winning_model()get_winning_model
Default method for get_winning_model()get_winning_model.default
Get winning modelget_winning_model.pk
Inverse diagonal, method 1hess_sd1
Inverse diagonal, method 2hess_sd2
Ignore unused importsignore_unused_imports
Check whether an object is of class `pk`is.pk
Check whether an object is of class `pk_faceted`is.pk_faceted
Is an object class `pk_scales`?is.pk_scales
Is an object pkproto?is.pkproto
Log-likelihoodlog_likelihood
Log-likelihoodlogLik.pk
New mappingmapping
Log10-scaled midpointmidpt_log10
1-compartment modelmodel_1comp
1-compartment model that assumes non-restrictive clearancemodel_1comp_cl_nonrest
1-compartment model that assumes restrictive clearancemodel_1comp_cl_rest
1-compartment model that assumes restrictive clearance optimizes Fupmodel_1comp_fup
2-compartment modelmodel_2comp
Flat modelmodel_flat
nca()nca
Default method for nca()nca.default
NCA for a `pk` objectnca.pk
Create a new `pk` objectpk
Add a `pkproto` object to a `pk` objectpk_add
Add pkproto object default methodpk_add.default
Add facet_data()pk_add.pk_facet_data
Add a `pk_scales` object to a `pk` object.pk_add.pk_scales
Add a `pk_settings_data_info` object.pk_add.pk_settings_data_info
Add a `pk_settings_optimx` object.pk_add.pk_settings_optimx
Add a `pk_settings_preprocess` object.pk_add.pk_settings_preprocess
Add a `pk_stat_error_model` object.pk_add.pk_stat_error_model
Add a `pk_stat_model` object.pk_add.pk_stat_model
Add an `uneval` objectpk_add.uneval
Create a new `pk_model` objectpk_model
Subtract a `pkproto` object from a `pk` objectpk_subtract
Subtract pkproto object default methodpk_subtract.default
Subtract a `pk_stat_model` object.pk_subtract.pk_stat_model
Toxicokinetic data from the "Concentration vs. Time Database"pkdataset_nheerlcleaned
Plot a [pk()] object.plot.pk
Get predictionspredict.pk
Print a user-friendly version of a `pk` objectprint.pk
Convert invivoPKfit output table names to the CvTdb namesrename2_cvt
Get residualsresiduals.pk
Root mean squared error (RMSE)rmse
Root mean squared error (RMSE) default methodrmse.default
Root mean squared errorrmse.pk
Helper function for calculating percentages of count data, by rowrowwise_calc_percentages
rsq()rsq
Default method for rsq()rsq.default
Calculate R-squared for observed vs. predicted valuesrsq.pk
Scale concentrationsscale_conc
Scale timesscale_time
Data info settingssettings_data_info
`optimx` optimizer settingssettings_optimx
Data preprocessing settingssettings_preprocess
Error modelstat_error_model
Add PK model(s) to be fittedstat_model
Status ID for data summary infostatus_data_info
Status ID for fittingstatus_fit
Status ID for initializationstatus_init
Status ID for pre-fittingstatus_prefit
Status ID for preprocessingstatus_preprocess
Subtract various `pkproto` objects from a `pk` objectsubtract_pk
Print summary of a `pk` objectsummary.pk
Time conversion tabletime_conversions
Allowable time unitstime_units
Toxicokinetic statistics for 1-compartment modeltkstats_1comp
Toxicokinetic statistics for 1-compartment model with specific clearancetkstats_1comp_cl
Toxicokinetic statistics for 1-compartment modeltkstats_2comp
TK stats for flat modeltkstats_flat
Transformed parameters for 2-compartment modeltransformed_params_2comp
twofold_test()twofold_test
Default method for twofold_test()twofold_test.default
Evaluate whether data and predictions are within two-fold of mean or concentration, respectivelytwofold_test.pk