Prediction of tissue-prediction partition coefficient using Berez method

Usage

Kpcoeff_Berez(logP, pKa, fup, BP = 1, type = 1, dattype = 0)

Arguments

logP: Partition coefficient
pKa: Acid dissociation constant (for ampholyte or zwitterion, enter Acid pKa first)
fup: Plasma unbound fraction
BP: Blood-plasma ratio
type: Neutral(1)/acid(2)/base(3)/diprotic acid(4)/diprotic base(5)/zwitterion(ampholyte)(6)
dattype: Human physiology dataset(0 - original dataset, 1 - unified dataset)

Value

A list of tissue partition coefficient in each organ

Examples

Kpcoeff_Berez(2.7, 6, 0.9, 1, 1, 0)
#> $Kpad
#> [1] 29.12182
#> 
#> $Kpbo
#> [1] 11.9467
#> 
#> $Kpbr
#> [1] 11.05684
#> 
#> $Kphe
#> [1] 2.873264
#> 
#> $Kpki
#> [1] 4.322959
#> 
#> $Kpst
#> [1] 8.750933
#> 
#> $Kpsm
#> [1] 8.750933
#> 
#> $Kpla
#> [1] 8.750933
#> 
#> $Kpli
#> [1] 6.981209
#> 
#> $Kplu
#> [1] 1.178004
#> 
#> $Kpmu
#> [1] 4.376772
#> 
#> $Kppa
#> [1] 7.14541
#> 
#> $Kpsk
#> [1] 5.279566
#> 
#> $Kpsp
#> [1] 4.401627
#>