Kpcoeff: Calculation of tissue-plasma partition coefficient

In sueinchoi/KpCoeff: What the Package Does (One Line, Title Case)

Calculation of tissue-plasma partition coefficient

Description

It calculates tissue-plasma partition coefficient using the specified prediction method and the human physiology dataset

Usage

Kpcoeff(logP, pKa, fup, BP, type = 3, pred = "P&T", dattype = 0)

Arguments

logP	partition coefficient (octanol-to-water)
pKa	Acid dissociation constant (for ampholyte or zwitterion, enter Acid pKa first)
fup	Plasma unbound fraction
BP	Blood-to-plasma ratio
type	Neutral(1)/acid(2)/base(3)/diprotic acid(4)/diprotic base(5)/zwitterion(ampholyte)(6)
pred	Prediction method (Poulin&Theil - "P&T", Rowland&Rowdgers - "R&R", Berezhesky - "Berez", PKsim - "pksim", Schmitt - "Schmitt")
dattype	Human physiology dataset(0 - original dataset, 1 - unified dataset)

Value

A list of partition coefficient in each organ

Examples

Kpcoeff(2.6, 2, 0.9, 1.5, 2, "P&T", 0)
Kpcoeff(2.6, c(1.1, 8), 0.5, 1, 6, "R&R", 1)

sueinchoi/KpCoeff documentation built on Dec. 5, 2023, 5:29 a.m.