PoulinTheil

An Excel add-in for prediction of partition coefficient.

Poulin, P., & Theil, F. P. (2000). A priori prediction of tissue: Plasma partition coefficients of drugs to facilitate the use of physiologically‐based pharmacokinetic models in drug discovery. Journal of pharmaceutical sciences, 89(1), 16-35.

Prerequisites

• Microsoft Windows 7 or later
• Microsoft Office 2010 or later
• Microsoft .NET 4+

Download

Download the latest build from releases.

Two XLL files are present in the zip archive for a release. The build (32-bit or 64-bit) of Microsoft Office installed will detemine which of the XLL files should be installed.

Installation

To install the XLL, refer to Add or remove an Excel add-in on this Microsoft Office support page.

Getting Started

Refer to Poulin & Theil to determine whether the mechanistic equations implemented in this add-in are applicable to your problem domain.

P_t:p Assuming Homogenous Distribution and Passive Diffusion

In a worksheet cell, use the Ptp_Eq11 function. The four arguments required are:

1. Species (rat, rabbit, or mouse)
2. Tissue (brain, heart, lung, muscle, skin, intestine, spleen, or bone)
3. Log vegetable oil:water partition coefficient, log K_vo:w
4. Unbound fraction in lipid non-depleted plasma, fu_p

Example:

=Ptp_Eq11("rat", "heart", 0.78, 0.92)

P_t:p Assuming Non-Homogenous Distribution

In a worksheet cell, use the Ptp_Eq14 function. The two arguments required are:

1. Tissue (brain, heart, lung, muscle, skin, intestine, spleen, or bone)
2. Unbound fraction in lipid non-depleted plasma, fu_p

Example:

=Ptp_Eq14("skin", 0.22)