An Algorithm and R Program for Fitting and Simulation of Pharmacokinetic and Pharmacodynamic Data.

Area of Science:

• Pharmacology
• Computational Biology
• Biostatistics

Background:

• Pharmacokinetic/pharmacodynamic (PK/PD) link models are crucial for dose-finding studies.
• These models predict therapeutic dose ranges, optimizing clinical trial design and resource allocation.
• Current modeling processes can be complex, time-consuming, and expensive.

Purpose of the Study:

• To introduce a freely available R program for PK/PD data analysis.
• To streamline data importation, parameter estimation, simulation, and model diagnostics.
• To provide an accessible tool for pharmacokinetic researchers.

Main Methods:

• Explanation of PK/PD link model theory and algorithms for parameter estimation.
• Presentation of algorithms for potential therapeutic dose computation.
• Validation of the R package against established software (WinNonlin) using a clinical example.

Main Results:

• The R package successfully acquires pharmacokinetic and pharmacodynamic parameters.
• Potential therapeutic doses are computed using the developed R package.
• Validation confirms satisfactory parameter estimation and goodness-of-fit compared to WinNonlin.

Conclusions:

• The developed R program offers a user-friendly and accessible tool for PK/PD analysis.
• It empowers pharmacokinetic researchers to perform analyses on personal computers.
• This facilitates more efficient and cost-effective drug development processes.