Prediction of tissue-prediction partition coefficient using Schmitt method

Usage

Kpcoeff_Schmitt(logP, pKa, fup, type = 1, dattype = 0)

Arguments

logP: Partition coefficient
pKa: Acid dissociation
fup: Plasma unbound fraction
type: Neutral/acid/base
dattype: Human physiology dataset

Value

A list of tissue partition coefficient in each organ

Examples

Kpcoeff_Schmitt(2.7, 6, 0.9, 1, 0)
#> $Kpbo
#> [1] 11.37671
#> 
#> $Kpbr
#> [1] 51.13667
#> 
#> $Kpad
#> [1] 416.7781
#> 
#> $Kphe
#> [1] 52.16685
#> 
#> $Kpki
#> [1] 29.84245
#> 
#> $Kpst
#> [1] 33.79204
#> 
#> $Kpsm
#> [1] 33.79204
#> 
#> $Kpla
#> [1] 33.79204
#> 
#> $Kpli
#> [1] 38.45797
#> 
#> $Kplu
#> [1] 19.81992
#> 
#> $Kpmu
#> [1] 7.113995
#> 
#> $Kppa
#> [1] 24.94317
#> 
#> $Kpsk
#> [1] 67.71426
#> 
#> $Kpsp
#> [1] 11.92953
#>