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PKbioanalysis

PKbioanalysis is an R package designed to facilitate the integration of pharmacokinetic (PK) and bioanalytical data analysis. The overarching goal of this package is to provide a streamlined and standardized approach to chromatography-based pharmacokinetic studies starting from study design to PK analysis and reporting.

Installation

You can install the released version of PKbioanalysis from CRAN with:

install.packages("PKbioanalysis")

Or the development version from GitHub with:

remotes::install_github("OmarAshkar/PKbioanalysis")

Main Features

  • 96-well plate design and visualization
  • Support Pharmacokinetic samples attributes on the plate
  • Automatically propagate and design injection sequences
  • Export injection sequences to CSV compatible with Masslynx and MassHunter
  • Interactive dilution scheme with unit conversion

Milestones

  • Support import peak areas from TargetLynx or other formats
  • Support interactive chromatography integration and visualization
  • Linearity
  • Suitability
  • MLE of additive and proportional errors
  • Automatically estimate LOD
  • Estimate UAD (dilution threshold) recommendation
  • Export to NONMEM-formated dataset

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Version

Install

install.packages('PKbioanalysis')

Monthly Downloads

575

Version

0.3.0

License

AGPL (>= 3)

Maintainer

Omar Elashkar

Last Published

May 21st, 2025

Functions in PKbioanalysis (0.3.0)

plot.PlateObj

Plotting 96 well plate
plot_design

Plot the design of the plate
write_injec_seq

Write injection sequence to database
download_sample_list

Download sample list from database to local spreadsheet with vendor specific format
fill_scheme

Filling orientation of the plate
add_QC

Add quality control samples to the plate
register_plate,MultiPlate-method

Register a multiple plates at once
make_metabolic_study

Create a metabolic study layout
add_samples

Add unknown samples to a plate
add_samples_c

Cartesian product of sample factors to a plate
make_calibration_study

Create a calibration study with calibration standards and QCs
register_plate,PlateObj-method

Register a plate This will save the plate to the database
register_plate

Register a plate This will save the plate to the database
[[,MultiPlate-method

Subsetting method for MultiPlate
add_DB

Add double blank (DB) to a plate
add_blank

Add blank to the plate Can be either double blank (DB), CS0IS+ or CS1IS-
PKbioanalysis-package

PKbioanalysis: Pharmacokinetic Bioanalysis Experiments Design and Exploration
add_suitability

Add suitability sample to the plate
add_DQC

Add dilution quality control (DQC) to the plate
add_cs_curve

Add calibration curve to the plate
generate_96

Generate 96 Plate Generate a typical 96 well plate. User need to specify the empty rows which a going to be used across the experiment.
length,MultiPlate-method

Length method for MultiPlate
combine_injec_lists

Create Sample List with rigorous design
combine_plates

Combine plates in MultiPlate object
plate_app

bioanalytic_app
plate_metadata

Set plate description
build_injec_seq

Create Injection Sequence
build_injec_seq,PlateObj-method

Create Injection Sequence from PlateObj (Single Plate)
build_injec_seq,MultiPlate-method

Create Injection Sequence from MultiPlate (Multiple Plates)