Table 5.

The published and validated model equations that are used together with the measured properties to estimate the in vivo distribution behaviour of drugs. (abbreviations: IAM = Immobilized Artificial Membrane; HSA = Human Serum Albumin; V_d = volume of distribution; V_du = Unbound volume of distribution, DE_max = maximum drug efficiency; BTB = brain tissue binding; PPB = plasma protein binding, f_u = unbound fraction; K_bb = brain to blood partition coefficient; K_pcell = cell partition coefficient; LTB = lung tissue binding)

log K IAM [43]	= 0.29*e(0.026CHI(IAM)+0.42) +0.7
log k IAM [43]	= 0.046*CHI(IAM)+0.42
Phospholipidotic potential (CAD-likeness)	= CHI (IAM) + (CHI at pH 10.5 – CHI at pH 7.4)
log K HSA [43]	= elog k(HSA)
log k HSA [30]	= log (%HSAbound/(101- %HSA bound))
Estimated log Vd [43,44]	= 0.44*log K IAM -0.22*log K HSA – 0.62
Estimated log Vdu[27]	= 0.23*log K HSA +0.43*log K IAM -0.72
DEmax [45]	= 100/Vdu
log k BTB [31]	= 1.29*log k IAM+1.03*log k HSA-2.37
log k (PPB)[31]	= 0.98*log k HSA+0.19*log k AGP+0 .031*CHI log D 7.4-0.20
%BTB [31]	= 100*10log k BTB/(1+10log k BTB)
%PPB [31]	= 100*10log k PPB/(1+10log k PPB)
fu BTB and PPB [31]	= (100-%BTB)/100 and (100 %-%PPB)/100
Kbb [31]	= fuPPB/fuBTB
log Kpcell [46]	= 1.1log k IAM-1.9
log k LTB [31]	= 0.49*log k PPB+0.34CHIlog D-0.069
% LTB [31]	= 100*10logkLTB/(1+10logkLTB)