rnaimehaom / poulinhaddad

Predicting tissue distribution of highly lipophilic compounds

PoulinHaddad

Predicting tissue distribution of highly lipophilic compounds.

Poulin, P.; Haddad, S. Advancing Prediction of Tissue Distribution and Volume of Distribution of Highly Lipophilic Compounds from a Simplified Tissue-Composition-Based Model as a Mechanistic Animal Alternative Method. J. Pharm. Sci. 2012, 101, 2250–2261.

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 & Haddad to determine whether the model implemented in this add-in is applicable to your problem domain.

V_ss

In a worksheet cell, use the Vss function. The three arguments required are:

1. Log octanol:water partition coefficient, log P_ow
2. Ionization class (N, WB, SB, A, or Z)
3. Does drug chemical structure consist of at least one oxygen atom? (TRUE or FALSE)

If the drug or chemical is not neutral (not class N), supply a fourth argument:

4. pK_a

If the drug or chemical is a zwitterion (class Z), supply a fifth argument:

5. pK_a,base

Example:

=Vss(7.23, "N", TRUE)

Other Computations

To view other functions available with this add-in, in the Excel function wizard, select Poulin Haddad from the Category drop-down.