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Formulas: Repalce C*V with M #2132

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Yuri05 opened this issue Mar 24, 2022 · 1 comment
Closed

Formulas: Repalce C*V with M #2132

Yuri05 opened this issue Mar 24, 2022 · 1 comment
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@Yuri05
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Yuri05 commented Mar 24, 2022

In some formulas, where amount of drug or protein is used, it is written in the form Concentration*Volume
Because internally concentration is always calculated as Amount/Volume, this results in the calculation of Amount/Volume*Volume, which is inefficient.

So C*V should be replaced with M (amount). Will also make the formulas more readable

calculation_method formula_rate formula
LinksCommon BrainPgPToPlasma_Hill Min(CP * f_int * V * kcat * (fu * max(C_pls;0))^alpha / ( Km^alpha + (fu * max(C_pls;0))^alpha) ; P_endothelial * SA * fu * C_pls) + CP * f_int * V * kcat * (K_water_int * max(C_int;0))^alpha / (Km^alpha + (K_water_int * max(C_int;0))^alpha)
LinksCommon BrainPgPToPlasma_MM Min(CP * f_int * V * kcat  / ( Km + C_pls * fu) ; P_endothelial * SA)* C_pls * fu + CP * f_int * V * kcat * K_water_int * C_int / (Km + K_water_int * C_int)
LinksCommon LiverActiveEffluxToBile_Hill (1-EHC_ContinuousFraction) * CP * f_cell * V * kcat * (K_water_cell * max(C_cell;0))^alpha / (Km^alpha + (K_water_cell * max(C_cell;0))^alpha)
LinksCommon LiverActiveEffluxToBile_MM (1-EHC_ContinuousFraction) * CP * f_cell * V * kcat * K_water_cell * C_cell / (Km + K_water_cell * C_cell)
LinksCommon LiverActiveEffluxToDuodenum_Hill EHC_ContinuousFraction * CP * f_cell * V * kcat * (K_water_cell * max(C_cell;0))^alpha / (Km^alpha + (K_water_cell * max(C_cell;0))^alpha)
LinksCommon LiverActiveEffluxToDuodenum_MM EHC_ContinuousFraction * CP * f_cell * V * kcat * K_water_cell * C_cell / (Km + K_water_cell * C_cell)
LinksCommon MetabolizationSpecific_MM **** kcat *** V** * K_water * C / (Km + K_water * C)
LinksCommon PgpSpecific_Hill Min(CP * f_cell * V * kcat * (K_water_int * max(C_int;0))^alpha / ( Km^alpha + (K_water_int * max(C_int;0))^alpha) ; PA_int_cell * K_water_int * C_int) + CP * f_cell * V * kcat * (K_water_cell * max(C_cell;0))^alpha / (Km^alpha + (K_water_cell * max(C_cell;0))^alpha)
LinksCommon PgpSpecific_MM Min(CP * f_cell * V * kcat  / ( Km + C_int * K_water_int) ; PA_int_cell )* C_int *K_water_int + CP * f_cell * V * kcat * K_water_cell * C_cell / (Km + K_water_cell * C_cell)
Observer_PKSim_2Poren OBS_Concentration_liv_bc (C_bc_prp * V_bc_prp + C_bc_prc * V_bc_prc)/(V_bc_prp+V_bc_prc)
Observer_PKSim_2Poren OBS_Concentration_liv_cell (C_cell_prp * V_cell_prp + C_cell_prc * V_cell_prc)/(V_cell_prp+V_cell_prc)
Observer_PKSim_2Poren OBS_Concentration_liv_end (C_end_prp * V_end_prp + C_end_prc * V_end_prc)/(V_end_prp+V_end_prc)
Observer_PKSim_2Poren OBS_Concentration_liv_int (C_int_prp * V_int_prp + C_int_prc * V_int_prc)/(V_int_prp+V_int_prc)
Observer_PKSim_2Poren OBS_Concentration_liv_pls (C_pls_prp * V_pls_prp + C_pls_prc * V_pls_prc)/(V_pls_prp+V_pls_prc)
Observer_PKSim_2Poren OBS_InterstitialUnbound_liv (C_int_prp * K_water_int_prp * V_int_prp + C_int_prc * K_water_int_prc * V_int_prc)/(V_int_prp+V_int_prc)
Observer_PKSim_2Poren OBS_IntracellularUnbound_liv (C_cell_prp * K_water_cell_prp * V_cell_prp + C_cell_prc * K_water_cell_prc * V_cell_prc)/(V_cell_prp+V_cell_prc)
Observer_PKSim_2Poren OBS_Tissue_liv (C_int_prp * V_int_prp + C_int_prc * V_int_prc + C_cell_prp * V_cell_prp + C_cell_prc * V_cell_prc + C_end_prp * V_end_prp + C_end_prc * V_end_prc)/(V_int_prp+V_int_prc+V_cell_prp+V_cell_prc+V_end_prp+V_end_prc)
Observer_PKSim_2Poren OBS_WholeOrgan (fBloodForSampling*(V_plsC_pls + V_bcC_bc) + V_endC_end + V_intC_int + V_cellC_cell)/(fBloodForSampling(V_pls+V_bc) + V_end + V_int + V_cell)
Observer_PKSim_2Poren OBS_WholeOrgan_incl_FcRn_Complex (fBloodForSampling*(V_pls*(C_pls+C_pls_Complex) + V_bcC_bc) + V_end(C_end+C_end_Complex) + V_int*(C_int+C_int_Complex) + V_cellC_cell)/(fBloodForSampling(V_pls+V_bc) + V_end + V_int + V_cell)
Observer_PKSim_2Poren OBS_WholeOrgan_incl_FcRn_Complex_liv (fBloodForSampling*((C_pls_prp + C_pls_prp_Complex) * V_pls_prp + (C_pls_prc + C_pls_prc_Complex) * V_pls_prc +  C_bc_prp * V_bc_prp + C_bc_prc * V_bc_prc) +  (C_int_prp + C_int_prp_Complex) * V_int_prp + (C_int_prc + C_int_prc_Complex) * V_int_prc + C_cell_prp * V_cell_prp + C_cell_prc * V_cell_prc + (C_end_prp + C_end_prp_Complex) * V_end_prp + (C_end_prc + C_end_prc_Complex) * V_end_prc)/(fBloodForSampling*(V_pls_prp+V_pls_prc+V_bc_prp+V_bc_prc)+V_int_prp+V_int_prc+V_cell_prp+V_cell_prc+V_end_prp+V_end_prc)
Observer_PKSim_2Poren OBS_WholeOrgan_liv (fBloodForSampling*(C_pls_prp * V_pls_prp + C_pls_prc * V_pls_prc + C_bc_prp * V_bc_prp + C_bc_prc * V_bc_prc) + C_int_prp * V_int_prp + C_int_prc * V_int_prc + C_cell_prp * V_cell_prp + C_cell_prc * V_cell_prc + C_end_prp * V_end_prp + C_end_prc * V_end_prc)/(fBloodForSampling*(V_pls_prp+V_pls_prc+V_bc_prp+V_bc_prc)+V_int_prp+V_int_prc+V_cell_prp+V_cell_prc+V_end_prp+V_end_prc)
Observer_PKSim_4Comp OBS_Concentration_liv_bc (C_bc_prp * V_bc_prp + C_bc_prc * V_bc_prc)/(V_bc_prp+V_bc_prc)
Observer_PKSim_4Comp OBS_Concentration_liv_cell (C_cell_prp * V_cell_prp + C_cell_prc * V_cell_prc)/(V_cell_prp+V_cell_prc)
Observer_PKSim_4Comp OBS_Concentration_liv_end (C_end_prp * V_end_prp + C_end_prc * V_end_prc)/(V_end_prp+V_end_prc)
Observer_PKSim_4Comp OBS_Concentration_liv_int (C_int_prp * V_int_prp + C_int_prc * V_int_prc)/(V_int_prp+V_int_prc)
Observer_PKSim_4Comp OBS_Concentration_liv_pls (C_pls_prp * V_pls_prp + C_pls_prc * V_pls_prc)/(V_pls_prp+V_pls_prc)
Observer_PKSim_4Comp OBS_InterstitialUnbound_liv (C_int_prp * K_water_int_prp * V_int_prp + C_int_prc * K_water_int_prc * V_int_prc)/(V_int_prp+V_int_prc)
Observer_PKSim_4Comp OBS_IntracellularUnbound_liv (C_cell_prp * K_water_cell_prp * V_cell_prp + C_cell_prc * K_water_cell_prc * V_cell_prc)/(V_cell_prp+V_cell_prc)
Observer_PKSim_4Comp OBS_Tissue_liv (C_int_prp * V_int_prp + C_int_prc * V_int_prc + C_cell_prp * V_cell_prp + C_cell_prc * V_cell_prc)/(V_int_prp+V_int_prc+V_cell_prp)
LinksCommon ClearanceKidneyPls V * CLspec * C_pls * fu
@msevestre
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@msevestre msevestre self-assigned this Apr 1, 2022
msevestre added a commit that referenced this issue Apr 1, 2022
@msevestre msevestre added this to the Version 11 milestone Apr 1, 2022
msevestre added a commit that referenced this issue Apr 1, 2022
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