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  "Package": "invitroTKstats",
  "Version": "0.0.14",
  "Date": "2026-01-22",
  "Title": "In Vitro Toxicokinetic Data Processing and Analysis Pipeline",
  "Description": "A set of tools for processing and analyzing in vitro\ntoxicokinetic measurements in a standardized and reproducible\npipeline. The package was developed to perform frequentist and\nBayesian estimation on a variety of in vitro toxicokinetic\nmeasurements including -- but not limited to -- chemical\nfraction unbound in the presence of plasma (f_up), intrinsic\nhepatic clearance (Clint, uL/min/million hepatocytes), and\nmembrane permeability for oral absorption (Caco2). The methods\nprovided by the package were described in Wambaugh et al.\n(2019) <doi:10.1093/toxsci/kfz205>.",
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  "Repository": "https://usepa.r-universe.dev",
  "Date/Publication": "2026-02-13 14:26:03 UTC",
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        "Test.Compound.Conc",
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        "Percent.Physiologic.Plasma",
        "Biological.Replicates",
        "Technical.Replicates",
        "Response"
      ],
      "rows": 636,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_red_L2",
      "title": "Fup RED Level-2 Example Data set",
      "object": "fup-red-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Lab.Sample.Name",
        "Date",
        "Compound.Name",
        "DTXSID",
        "Lab.Compound.Name",
        "Sample.Type",
        "Dilution.Factor",
        "Calibration",
        "ISTD.Name",
        "ISTD.Conc",
        "ISTD.Area",
        "Area",
        "Analysis.Method",
        "Analysis.Instrument",
        "Analysis.Parameters",
        "Note",
        "Level0.File",
        "Level0.Sheet",
        "Time",
        "Test.Compound.Conc",
        "Test.Nominal.Conc",
        "Percent.Physiologic.Plasma",
        "Biological.Replicates",
        "Technical.Replicates",
        "Response",
        "Verified"
      ],
      "rows": 636,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_red_L2_heldout",
      "title": "Fup RED Level-2 Heldout Example Data set",
      "object": "fup-red-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Lab.Sample.Name",
        "Date",
        "Compound.Name",
        "DTXSID",
        "Lab.Compound.Name",
        "Sample.Type",
        "Dilution.Factor",
        "Calibration",
        "ISTD.Name",
        "ISTD.Conc",
        "ISTD.Area",
        "Area",
        "Analysis.Method",
        "Analysis.Instrument",
        "Analysis.Parameters",
        "Note",
        "Level0.File",
        "Level0.Sheet",
        "Time",
        "Test.Compound.Conc",
        "Test.Nominal.Conc",
        "Percent.Physiologic.Plasma",
        "Biological.Replicates",
        "Technical.Replicates",
        "Response",
        "Verified"
      ],
      "rows": 0,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_red_L3",
      "title": "Fup RED Level-3 Example Data set",
      "object": "fup-red-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Compound.Name",
        "DTXSID",
        "Calibration",
        "Fup"
      ],
      "rows": 3,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_red_L4",
      "title": "Fup RED Level-4 Example Data set",
      "object": "fup-red-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Compound.Name",
        "Lab.Compound.Name",
        "DTXSID",
        "Fup.point",
        "Fup.Med",
        "Fup.Low",
        "Fup.High"
      ],
      "rows": 3,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_red_PREJAGS",
      "title": "Fup RED Level-4 PREJAGS arguments",
      "object": "fup-red-example",
      "class": [
        "list"
      ],
      "fields": [],
      "table": false,
      "tojson": true
    },
    {
      "name": "fup_uc_cheminfo",
      "title": "Fup UC Chemical Information Example Data set",
      "object": "Fup-UC-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "DTXSID",
        "Chemical Name (Common Abbreviation)",
        "Compound",
        "Chem.Lab.ID"
      ],
      "rows": 75,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_uc_L0",
      "title": "Fup UC Level-0 Example Data set",
      "object": "Fup-UC-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Compound",
        "DTXSID",
        "Lab.Compound.ID",
        "Date",
        "Sample",
        "Type",
        "Compound.Conc",
        "Peak.Area",
        "ISTD.Peak.Area",
        "ISTD.Name",
        "Analysis.Params",
        "Level0.File",
        "Level0.Sheet",
        "Sample Text",
        "Sample.Type",
        "Dilution.Factor",
        "Replicate"
      ],
      "rows": 240,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_uc_L1",
      "title": "Fup UC Level-1 Example Data set",
      "object": "Fup-UC-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Lab.Sample.Name",
        "Date",
        "Compound.Name",
        "DTXSID",
        "Lab.Compound.Name",
        "Sample.Type",
        "Dilution.Factor",
        "Calibration",
        "ISTD.Name",
        "ISTD.Conc",
        "ISTD.Area",
        "Area",
        "Analysis.Method",
        "Analysis.Instrument",
        "Analysis.Parameters",
        "Note",
        "Level0.File",
        "Level0.Sheet",
        "Test.Compound.Conc",
        "Test.Nominal.Conc",
        "Biological.Replicates",
        "Technical.Replicates",
        "Response"
      ],
      "rows": 240,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_uc_L2",
      "title": "Fup UC Level-2 Example Data set",
      "object": "Fup-UC-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Lab.Sample.Name",
        "Date",
        "Compound.Name",
        "DTXSID",
        "Lab.Compound.Name",
        "Sample.Type",
        "Dilution.Factor",
        "Calibration",
        "ISTD.Name",
        "ISTD.Conc",
        "ISTD.Area",
        "Area",
        "Analysis.Method",
        "Analysis.Instrument",
        "Analysis.Parameters",
        "Note",
        "Level0.File",
        "Level0.Sheet",
        "Test.Compound.Conc",
        "Test.Nominal.Conc",
        "Biological.Replicates",
        "Technical.Replicates",
        "Response",
        "Verified"
      ],
      "rows": 240,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_uc_L2_heldout",
      "title": "Fup UC Level-2 Heldout Example Data set",
      "object": "Fup-UC-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Lab.Sample.Name",
        "Date",
        "Compound.Name",
        "DTXSID",
        "Lab.Compound.Name",
        "Sample.Type",
        "Dilution.Factor",
        "Calibration",
        "ISTD.Name",
        "ISTD.Conc",
        "ISTD.Area",
        "Area",
        "Analysis.Method",
        "Analysis.Instrument",
        "Analysis.Parameters",
        "Note",
        "Level0.File",
        "Level0.Sheet",
        "Test.Compound.Conc",
        "Test.Nominal.Conc",
        "Biological.Replicates",
        "Technical.Replicates",
        "Response",
        "Verified"
      ],
      "rows": 0,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_uc_L3",
      "title": "Fup UC Level-3 Example Data set",
      "object": "Fup-UC-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Compound.Name",
        "DTXSID",
        "Lab.Compound.Name",
        "Calibration",
        "Fup"
      ],
      "rows": 3,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_uc_L4",
      "title": "Fup UC Level-4 Example Data set",
      "object": "Fup-UC-example",
      "class": [
        "data.frame"
      ],
      "fields": [
        "Compound",
        "DTXSID",
        "Lab.Compound.Name",
        "Fstable.Med",
        "Fstable.Low",
        "Fstable.High",
        "Fup.Med",
        "Fup.Low",
        "Fup.High",
        "Fup.point"
      ],
      "rows": 3,
      "table": true,
      "tojson": true
    },
    {
      "name": "fup_uc_PREJAGS",
      "title": "Fup UC Level-4 PREJAGS arguments",
      "object": "Fup-UC-example",
      "class": [
        "list"
      ],
      "fields": [],
      "table": false,
      "tojson": true
    },
    {
      "name": "L1.common.cols",
      "title": "Common Columns in Level-1",
      "object": "L1.common.cols",
      "class": [
        "character"
      ],
      "fields": [],
      "table": false,
      "tojson": true
    },
    {
      "name": "std.catcols",
      "title": "Standard Data Catalog (Data Guide) Columns",
      "object": "std.catcols",
      "class": [
        "character"
      ],
      "fields": [],
      "table": false,
      "tojson": true
    }
  ],
  "_help": [
    {
      "page": "dot-check_all_miss_cols",
      "title": "Check if all the data is missing for specified columns.",
      "topics": [
        ".check_all_miss_cols"
      ]
    },
    {
      "page": "dot-check_char_cols",
      "title": "Check the character columns are correctly of character class.",
      "topics": [
        ".check_char_cols"
      ]
    },
    {
      "page": "dot-check_no_miss_cols",
      "title": "Check there is no missing data for specified columns.",
      "topics": [
        ".check_no_miss_cols"
      ]
    },
    {
      "page": "dot-check_num_cols",
      "title": "Check the numeric columns are correctly of numeric class.",
      "topics": [
        ".check_num_cols"
      ]
    },
    {
      "page": "dot-check_std_colnames_in_data",
      "title": "Check the standard column names are in the data.",
      "topics": [
        ".check_std_colnames_in_data"
      ]
    },
    {
      "page": "build_mydata_clint",
      "title": "Build Data Object for Intrinsic Hepatic Clearance (Clint) Bayesian Model",
      "topics": [
        "build_mydata_clint"
      ]
    },
    {
      "page": "build_mydata_fup_red",
      "title": "Build Data Object for Fup RED Bayesian Model",
      "topics": [
        "build_mydata_fup_red"
      ]
    },
    {
      "page": "build_mydata_fup_uc",
      "title": "Build Data Object for Fup UC Bayesian Model",
      "topics": [
        "build_mydata_fup_uc"
      ]
    },
    {
      "page": "caco2_cheminfo",
      "title": "Caco-2 Chemical Information Example Data set",
      "topics": [
        "caco2_cheminfo"
      ]
    },
    {
      "page": "caco2_L0",
      "title": "Caco-2 Level-0 Example Data set",
      "topics": [
        "caco2_L0"
      ]
    },
    {
      "page": "caco2_L1",
      "title": "Caco-2 Level-1 Example Data set",
      "topics": [
        "caco2_L1"
      ]
    },
    {
      "page": "caco2_L2",
      "title": "Caco-2 Level-2 Example Data set",
      "topics": [
        "caco2_L2"
      ]
    },
    {
      "page": "caco2_L3",
      "title": "Caco-2 Level-3 Example Data set",
      "topics": [
        "caco2_L3"
      ]
    },
    {
      "page": "calc_caco2_point",
      "title": "Calculate a Point Estimate of Apparent Membrane Permeability (Papp) from Caco-2 data (Level-3)",
      "topics": [
        "calc_caco2_point"
      ]
    },
    {
      "page": "calc_clint",
      "title": "Calculate Intrinsic Hepatic Clearance (Clint) with Bayesian Modeling (Level-4)",
      "topics": [
        "calc_clint"
      ]
    },
    {
      "page": "calc_clint_point",
      "title": "Calculate a Point Estimate of Intrinsic Hepatic Clearance (Clint) (Level-3)",
      "topics": [
        "calc_clint_point"
      ]
    },
    {
      "page": "calc_fup_red",
      "title": "Calculate Fraction Unbound in Plasma (Fup) from Rapid Equilibrium Dialysis (RED) Data with Bayesian Modeling (Level-4)",
      "topics": [
        "calc_fup_red"
      ]
    },
    {
      "page": "calc_fup_red_point",
      "title": "Calculate Point Estimates of Fraction Unbound in Plasma (Fup) with Rapid Equilibrium Dialysis (RED) Data (Level-3)",
      "topics": [
        "calc_fup_red_point"
      ]
    },
    {
      "page": "calc_fup_uc",
      "title": "Calculate Fraction Unbound in Plasma (Fup) from Ultracentrifugation (UC) Data with Bayesian Modeling (Level-4)",
      "topics": [
        "calc_fup_uc"
      ]
    },
    {
      "page": "calc_fup_uc_point",
      "title": "Calculate Point Estimates of Fraction Unbound in Plasma (Fup) with Ultracentrifugation (UC) Data (Level-3)",
      "topics": [
        "calc_fup_uc_point"
      ]
    },
    {
      "page": "check_catalog",
      "title": "Function to Check Level 0 Data Catalog",
      "topics": [
        "check_catalog"
      ]
    },
    {
      "page": "clint_cheminfo",
      "title": "Clint Chemical Information Example Data set",
      "topics": [
        "clint_cheminfo"
      ]
    },
    {
      "page": "clint_L0",
      "title": "Clint Level-0 Example Data set",
      "topics": [
        "clint_L0"
      ]
    },
    {
      "page": "clint_L1",
      "title": "Clint Level-1 Example Data set",
      "topics": [
        "clint_L1"
      ]
    },
    {
      "page": "clint_L2",
      "title": "Clint Level-2 Example Data set",
      "topics": [
        "clint_L2"
      ]
    },
    {
      "page": "clint_L2_heldout",
      "title": "Clint Level-2 Heldout Example Data set",
      "topics": [
        "clint_L2_heldout"
      ]
    },
    {
      "page": "clint_L3",
      "title": "Clint Level-3 Example Data set",
      "topics": [
        "clint_L3"
      ]
    },
    {
      "page": "clint_L4",
      "title": "Clint Level-4 Example Data set",
      "topics": [
        "clint_L4"
      ]
    },
    {
      "page": "clint_PREJAGS",
      "title": "Clint Level-4 PREJAGS arguments",
      "topics": [
        "clint_PREJAGS"
      ]
    },
    {
      "page": "create_catalog",
      "title": "Function to create a catalog of level 0 files to be merged.",
      "topics": [
        "create_catalog"
      ]
    },
    {
      "page": "create_chem_table",
      "title": "Creates a Standardized Data Table of Chemical Identities",
      "topics": [
        "create_chem_table"
      ]
    },
    {
      "page": "create_method_table",
      "title": "Creates a Standardized Data Table for Chemical Analysis Methods",
      "topics": [
        "create_method_table"
      ]
    },
    {
      "page": "extract_level1_fup_uc",
      "title": "Extract level 1 ultracentrifugation (Redgrave et al. 1975) data from wide level 0 file",
      "topics": [
        "extract_level1_fup_uc"
      ]
    },
    {
      "page": "format_caco2",
      "title": "Creates a Standardized Data Frame with Caco-2 Data (Level-1)",
      "topics": [
        "format_caco2"
      ]
    },
    {
      "page": "format_clint",
      "title": "Creates a Standardized Data Frame with Hepatocyte Clearance Data (Level-1)",
      "topics": [
        "format_clint"
      ]
    },
    {
      "page": "format_fup_red",
      "title": "Creates a Standardized Data Frame with Rapid Equilibrium Dialysis (RED) Plasma Protein Binding (PPB) Data (Level-1)",
      "topics": [
        "format_fup_red"
      ]
    },
    {
      "page": "format_fup_uc",
      "title": "Creates a Standardized Data Frame with Ultracentrifugation (UC) Plasma Protein Binding (PPB) Data (Level-1)",
      "topics": [
        "format_fup_uc"
      ]
    },
    {
      "page": "fup_red_cheminfo",
      "title": "Fup RED Chemical Information Example Data set",
      "topics": [
        "fup_red_cheminfo"
      ]
    },
    {
      "page": "fup_red_L0",
      "title": "Fup RED Level-0 Example Data set",
      "topics": [
        "fup_red_L0"
      ]
    },
    {
      "page": "fup_red_L1",
      "title": "Fup RED Level-1 Example Data set",
      "topics": [
        "fup_red_L1"
      ]
    },
    {
      "page": "fup_red_L2",
      "title": "Fup RED Level-2 Example Data set",
      "topics": [
        "fup_red_L2"
      ]
    },
    {
      "page": "fup_red_L2_heldout",
      "title": "Fup RED Level-2 Heldout Example Data set",
      "topics": [
        "fup_red_L2_heldout"
      ]
    },
    {
      "page": "fup_red_L3",
      "title": "Fup RED Level-3 Example Data set",
      "topics": [
        "fup_red_L3"
      ]
    },
    {
      "page": "fup_red_L4",
      "title": "Fup RED Level-4 Example Data set",
      "topics": [
        "fup_red_L4"
      ]
    },
    {
      "page": "fup_red_PREJAGS",
      "title": "Fup RED Level-4 PREJAGS arguments",
      "topics": [
        "fup_red_PREJAGS"
      ]
    },
    {
      "page": "fup_uc_cheminfo",
      "title": "Fup UC Chemical Information Example Data set",
      "topics": [
        "fup_uc_cheminfo"
      ]
    },
    {
      "page": "fup_uc_L0",
      "title": "Fup UC Level-0 Example Data set",
      "topics": [
        "fup_uc_L0"
      ]
    },
    {
      "page": "fup_uc_L1",
      "title": "Fup UC Level-1 Example Data set",
      "topics": [
        "fup_uc_L1"
      ]
    },
    {
      "page": "fup_uc_L2",
      "title": "Fup UC Level-2 Example Data set",
      "topics": [
        "fup_uc_L2"
      ]
    },
    {
      "page": "fup_uc_L2_heldout",
      "title": "Fup UC Level-2 Heldout Example Data set",
      "topics": [
        "fup_uc_L2_heldout"
      ]
    },
    {
      "page": "fup_uc_L3",
      "title": "Fup UC Level-3 Example Data set",
      "topics": [
        "fup_uc_L3"
      ]
    },
    {
      "page": "fup_uc_L4",
      "title": "Fup UC Level-4 Example Data set",
      "topics": [
        "fup_uc_L4"
      ]
    },
    {
      "page": "fup_uc_PREJAGS",
      "title": "Fup UC Level-4 PREJAGS arguments",
      "topics": [
        "fup_uc_PREJAGS"
      ]
    },
    {
      "page": "Heaviside",
      "title": "Heaviside",
      "topics": [
        "Heaviside"
      ]
    },
    {
      "page": "initfunction_clint",
      "title": "Set Initial Values for Intrinsic Hepatic Clearance (Clint) Bayesian Model",
      "topics": [
        "initfunction_clint"
      ]
    },
    {
      "page": "initfunction_fup_red",
      "title": "Set Initial Values for Fup RED Bayesian Model",
      "topics": [
        "initfunction_fup_red"
      ]
    },
    {
      "page": "initfunction_fup_uc",
      "title": "Set Initial Values for Fup UC Bayesian Model",
      "topics": [
        "initfunction_fup_uc"
      ]
    },
    {
      "page": "L1.common.col",
      "title": "Common Columns in Level-1",
      "topics": [
        "L1.common.col",
        "L1.common.cols"
      ]
    },
    {
      "page": "merge_level0",
      "title": "Merge Multiple Level-0 files into a Single Table for Processing",
      "topics": [
        "merge_level0"
      ]
    },
    {
      "page": "plot_clint",
      "title": "Plot Mass Spectrometry Responses from Measurements of Intrinsic Hepatic Clearance",
      "topics": [
        "plot_clint"
      ]
    },
    {
      "page": "plot_fup_uc",
      "title": "Plot Mass Spectrometry Responses for Fraction Unbound in Plasma Data from Ultracentrifugation (UC)",
      "topics": [
        "plot_fup_uc"
      ]
    },
    {
      "page": "round_output",
      "title": "Round Numeric Data (Any Level and Assay)",
      "topics": [
        "round_output"
      ]
    },
    {
      "page": "runjagsdata.to.list",
      "title": "Convert a runjags-class object to a list",
      "topics": [
        "runjagsdata.to.list"
      ]
    },
    {
      "page": "sample_verification",
      "title": "Add Sample Verification Column (Level-2)",
      "topics": [
        "sample_verification"
      ]
    },
    {
      "page": "scientific_10",
      "title": "Formatting function for X-axis in log10-scale",
      "topics": [
        "scientific_10"
      ]
    },
    {
      "page": "std.catcols",
      "title": "Standard Data Catalog (Data Guide) Columns",
      "topics": [
        "std.catcols"
      ]
    },
    {
      "page": "summarize_table",
      "title": "Creates a Summary Table of Mass-Spectrometry (MS) Data",
      "topics": [
        "summarize_table"
      ]
    }
  ],
  "_readme": "https://github.com/usepa/invitrotkstats/raw/HEAD/README.md",
  "_rundeps": [
    "cellranger",
    "cli",
    "coda",
    "cpp11",
    "crayon",
    "dplyr",
    "farver",
    "generics",
    "ggplot2",
    "glue",
    "gtable",
    "hms",
    "isoband",
    "labeling",
    "lattice",
    "lifecycle",
    "magrittr",
    "pillar",
    "pkgconfig",
    "prettyunits",
    "progress",
    "R6",
    "rbibutils",
    "RColorBrewer",
    "Rdpack",
    "readxl",
    "rematch",
    "rlang",
    "runjags",
    "S7",
    "scales",
    "tibble",
    "tidyselect",
    "utf8",
    "vctrs",
    "viridisLite",
    "withr"
  ],
  "_sysdeps": [
    {
      "shlib": "libjags",
      "package": "jags",
      "headers": "jags",
      "source": "jags",
      "version": "4.3.2-2.2404.0",
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