项目作者: HSL

项目描述 :
Prediction of partition coefficient
高级语言: C#
项目地址: git://github.com/HSL/PoulinTheil.git
创建时间: 2017-12-03T08:43:04Z
项目社区:https://github.com/HSL/PoulinTheil

开源协议:MIT License

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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.

Pt: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 Kvo:w
  4. Unbound fraction in lipid non-depleted plasma, fup

Example:

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

Pt: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, fup

Example:

  1. =Ptp_Eq14("skin", 0.22)