Prediction of tissue-prediction partition coefficient using R&R method

Usage

Kpcoeff_RR(logP, pKa = 0, 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_RR(2.7, 6, 0.9, 1, 1, 0)
#> $Kpad
#> [1] 35.2129
#> 
#> $Kpbo
#> [1] 8.244971
#> 
#> $Kpbr
#> [1] 18.45372
#> 
#> $Kpgu
#> [1] 19.36418
#> 
#> $Kphe
#> [1] 8.344139
#> 
#> $Kpki
#> [1] 9.230581
#> 
#> $Kpli
#> [1] 10.05899
#> 
#> $Kplu
#> [1] 12.18029
#> 
#> $Kpmu
#> [1] 6.096992
#> 
#> $Kppa
#> [1] 20.3969
#> 
#> $Kpsk
#> [1] 28.16103
#> 
#> $Kpsp
#> [1] 5.486231
#> 
#> $Kpth
#> [1] 9.533745
#>