Solver Script

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The “Solver script” described the log-normal distributions of uncertain parameters and solves the ODEs. To begin the script, the number of model variants were defined (section 1). For each uncertain parameter, a parameter distribution was generated based upon the µ and σ defined in section * (section 3). For parameters which were thermodynamically connected, multivariate distributions were created (section 4). From these distributions, parameter values were randomly selected to generate unique parameter sets for every model variant (section 5). In the latter half of the “Solver script”, the event parameters are assigned a value and a time at which it changes, and the initial concentration of every metabolite is set (section 6). The ODEs are then solved using MATLABs inbuilt stiff ordinary differential equation solver, ode15 (section 5). The result of these models was then defined as failed if the numerical values cannot be calculated by the solver, as abnormal if the concentration of certain metabolites went below zero, and normal if not (section 6). The choice of metabolite is user defined and for the purposes of this model was arbitrarily set as PGE2. The models which were classified as normal were then analysed.

Script

% Solver Script

tic;

%% Section 1: Define number of model variants ParamNo = 2;

%% Section 2: Assignment of parameters as global global KmsR1 KmpR1 PLA2Kcat KeqR1 KmsR2 KmpR2 COX2Kcat KeqR2 KmsR3 KmpR3 PGFSKcat KeqR3 KmsR4 KmpR4 TXASKcat KeqR4 KmsR5 KmpR5 PGISKcat KeqR5 KfR6 KrR6 KfR7 KrR7 KfR8 KrR8 KfR9 KrR9 KmsR10 KmpR10 PGESKcat KeqR10 KmsR11 KmpR11 LOX5Kcat KeqR11 KmsR12 KmpR12 PHGPxKcatR12 KeqR12 KmsR13 KmpR13 LOX5FLAPKcat KeqR13 KmsR14 KmpR14 HEDH5Kcat KeqR14 KmsR15 KmpR15 LTA4HKcat KeqR15 KmsR16 KmpR16 LTC4SKcat KeqR16 KmsR17 KmpR17 LOX15Kcat KeqR17 KmsR19 KmpR19 LOX12Kcat KeqR19 KmsR21 KmpR21 PGDSKcat KeqR21 KmsR65 KmpR65 COX1Kcat KeqR65 KmsR66 KmpR66 PGDH15Kcat KeqR66 KmsR69 KmpR69 PTGR2Kcat KeqR69 ABCKcat KfR44 KfR45 KfR46 KfR47 KfR48 KfR49 KfR50 KfR51 KfR52 KfR53 KfR54 KfR55 KfR56 KfR57 KfR58 KfR59 KfR60 KfR61 KfR62 KfR63 KfR64 KfR68 KfR71 KmsR100 KmpR100 LATKcat KeqR100 ABCKmR22 ABCKmR23 ABCKmR24 ABCKmR25 ABCKmR26 ABCKmR27 ABCKmR28 ABCKmR29 ABCKmR30 ABCKmR31 ABCKmR32 ABCKmR33 ABCKmR34 ABCKmR35 ABCKmR36 ABCKmR37 ABCKmR38 ABCKmR39 ABCKmR40 ABCKmR41 ABCKmR42 ABCKmR67 ABCKmR70 c c2 c3 c4 PGTKcat PGTKmR101 PGTKmR102 PGTKmR103 PGTKmR104 PGTKmR105 PGTKmR106 PGTKmR107 PGTKmR108 PGTKmR109 PGTKmR110 PGTKmR111 KmsR18 KmpR18 PHGPxKcatR18 KeqR18 KmsR20 KmpR20 PHGPxKcatR20 KeqR20 PGDH15 ABC COX1 HEDH5 LOX12 LOX15 LOX5 LTA4H LTC4S PGDS PGES PGFS PGIS PGT PHGPX PLA2 PTGR2 TXAS

%% Section 3: Description of the parameter distributions

% KmsR1 KmsR1_mu =-2.414 ; KmsR1_sigma= 0.73487;

% KmpR1 KmpR1_mu = -2.414; KmpR1_sigma =0.73487;

% PLA2Kcat PLA2Kcat_mu =8.6294; PLA2Kcat_sigma=0.76932;

% KeqR1 KeqR1_mu=22.83; KeqR1_sigma =0.89;

% KmsR2 KmsR2_mu=-4.7218; KmsR2_sigma=0.77682;

% KmpR2 KmpR2_mu=-4.7218; KmpR2_sigma=0.77682;

% COX2Kcat COX2Kcat_mu=8.6976; COX2Kcat_sigma=1.1445;

% KeqR2 KeqR2_mu=66.70; KeqR2_sigma=0.89;

% KmsR3 KmsR3_mu=-2.8238; KmsR3_sigma=1.1815;

% KmpR3 KmpR3_mu=-2.8238; KmpR3_sigma=1.1815;

% PGFSKcat PGFSKcat_mu=3.4597; PGFSKcat_sigma=0.8715;

% KeqR3 KeqR3_mu=12.01; KeqR3_sigma=0.89;

% KmsR4 KmsR4_mu=-3.9721; KmsR4_sigma=0.78374;

% KmpR4 KmpR4_mu=-3.9721; KmpR4_sigma=0.78374;

% TXASKcat TXASKcat_mu=8.0056; TXASKcat_sigma=0.76923;

% KeqR4 KeqR4_mu=0.73; KeqR4_sigma=0.89;

% KmsR5 KmsR5_mu=-4.22; KmsR5_sigma= 0.42;

% KmpR5 KmpR5_mu=-4.22; KmpR5_sigma= 0.42;

% PGISKcat PGISKcat_mu=5.5206; PGISKcat_sigma=0.7783;

% KeqR5 KeqR5_mu=0.73; KeqR5_sigma=0.89;

% KfR6 KfR6_mu=5.598; KfR6_sigma=1.2535;

% KrR6 KrR6_mu=5.598; KrR6_sigma=1.27;

% KfR7 KfR7_mu=5.598; KfR7_sigma=1.2535;

% KrR7 KrR7_mu= 5.598; KrR7_sigma=1.27;

% KfR8 KfR8_mu=1.573; KfR8_sigma=0.9131;

% KrR8 KrR8_mu=1.573; KrR8_sigma=0.93;

% KfR9 KfR9_mu=1.573; KfR9_sigma=0.9131;

% KrR9 KrR9_mu=1.573; KrR9_sigma=0.93;

% KmsR10 KmsR10_mu=-1.1569; KmsR10_sigma=0.69253;

% KmpR10 KmpR10_mu=-1.1569; KmpR10_sigma=0.69253;

% PGESKcat PGESKcat_mu=8.7371; PGESKcat_sigma=0.87137;

% KeqR10 KeqR10_mu=12.01; KeqR10_sigma=0.89;

% KmsR11 KmsR11_mu=-3.6362; KmsR11_sigma=0.85032;

% KmpR11 KmpR11_mu=-3.6362; KmpR11_sigma=0.85032;

% LOX5Kcat LOX5Kcat_mu=7.8959; LOX5Kcat_sigma=0.76891;

% KeqR11 KeqR11_mu=119.05; KeqR11_sigma=0.89;

% KmsR12 KmsR12_mu=2.5397; KmsR12_sigma=1.9193;

% KmpR12 KmpR12_mu=2.5397; KmpR12_sigma=1.9193;

% PHGPxKcatR12 PHGPxKcatR12_mu=11.348; PHGPxKcatR12_sigma=1.1171;

% KeqR12 KeqR12_mu=46.32; KeqR12_sigma=0.89;

% KmsR13 KmsR13_mu=-3.6362; KmsR13_sigma=0.85032;

% KmpR13 KmpR13_mu=-3.6362; KmpR13_sigma=0.85032;

% LOX5FLAPKcat LOX5FLAPKcat_mu=7.8959; LOX5FLAPKcat_sigma=0.76891;

% KeqR13 KeqR13_mu=146.13; KeqR13_sigma=0.89;

% KmsR14 KmsR14_mu=-6.3091; KmsR14_sigma=1.027;

% KmpR14 KmpR14_mu=-6.3091; KmpR14_sigma=1.027;

% HEDH5Kcat HEDH5Kcat_mu=10.92; HEDH5Kcat_sigma=1.2544;

% KeqR14 KeqR14_mu=-1.3917; KeqR14_sigma=0.89;

% KmsR15 KmsR15_mu=-5.51; KmsR15_sigma=0.6994;

% KmpR15 KmpR15_mu=-5.51; KmpR15_sigma=0.72;

% LTA4HKcat LTA4HKcat_mu=3.8938; LTA4HKcat_sigma=0.7364;

% KeqR15 KeqR15_mu=6.93; KeqR15_sigma=0.89;

% KmsR16 KmsR16_mu=-2.83; KmsR16_sigma=0.79;

% KmpR16 KmpR16_mu=-2.83; KmpR16_sigma=0.79;

% LTC4SKcat LTC4SKcat_mu=7.4011; LTC4SKcat_sigma=0.3294;

% KeqR16 KeqR16_mu=-15.99; KeqR16_sigma=0.89;

% KmsR17 KmsR17_mu=-4.42; KmsR17_sigma=0.41;

% KmpR17 KmpR17_mu=-4.42; KmpR17_sigma=0.41;

% LOX15Kcat LOX15Kcat_mu=4.6; LOX15Kcat_sigma=0.65;

% KeqR17 KeqR17_mu=119.05; KeqR17_sigma=0.89;

% KmsR19 KmsR19_mu=-4.48; KmsR19_sigma=0.63;

% KmpR19 KmpR19_mu=-4.48; KmpR19_sigma=0.63;

% LOX12Kcat LOX12Kcat_mu=6.2203; LOX12Kcat_sigma=0.1796;

% KeqR19 KeqR19_mu=119.05; KeqR19_sigma=0.89;

% % KmsR21 previous PGDS Km % KmsR21_mu=-5.0503; % KmsR21_sigma=0.68523; % % % KmpR21 previous PGDS Km % KmpR21_mu=-5.0503; % KmpR21_sigma=0.68523;

% KmsR21 KmsR21_mu=-3.97; KmsR21_sigma=0.58;

% KmpR21 KmpR21_mu=-3.97; KmpR21_sigma=0.58;

% PGDSKcat PGDSKcat_mu=5.1; PGDSKcat_sigma=0.2;

% KeqR21 KeqR21_mu=12.01; KeqR21_sigma=0.89;

% KmsR65 KmsR65_mu=-4.59; KmsR65_sigma=0.45;

% KmpR65 KmpR65_mu=-4.59; KmpR65_sigma=0.45;

% COX1Kcat COX1Kcat_mu=9.0856; COX1Kcat_sigma=0.0408;

% KeqR65 KeqR65_mu=66.7; KeqR65_sigma=0.89;

% KmsR66 KmsR66_mu=-4.4125; KmsR66_sigma=0.68004;

% KmpR66 KmpR66_mu=-4.4125; KmpR66_sigma=0.68004;

% PGDH15Kcat PGDH15Kcat_mu=7.1911; PGDH15Kcat_sigma=0.70075;

% KeqR66 KeqR66_mu=1.5825; KeqR66_sigma=0.8911;

% KmsR69 KmsR69_mu=-3.9721; KmsR69_sigma=0.6709;

% KmpR69 KmpR69_mu=-3.9721; KmpR69_sigma=0.6709;

% PTGR2Kcat PTGR2Kcat_mu=3.2194; PTGR2Kcat_sigma=0.88713;

% KeqR69 KeqR69_mu=-5.2902; KeqR69_sigma=0.8911;

% ABCKcat ABCKcat_mu=0.92; ABCKcat_sigma=0.8;

% KfR44 KfR44_mu=-6.1137; KfR44_sigma=0.89;

% KfR45 KfR45_mu=-2.5583; KfR45_sigma=0.89;

% KfR46 KfR46_mu=1.526; KfR46_sigma=0.89;

% KfR47 KfR47_mu=-0.6713; KfR47_sigma=0.89;

% KfR48 KfR48_mu=0.784; KfR48_sigma=0.89;

% KfR49 KfR49_mu=-6.1137; KfR49_sigma=0.89;

% KfR50 KfR50_mu=-6.1137; KfR50_sigma=0.89;

% KfR51 KfR51_mu=-6.1137; KfR51_sigma=0.89;

% KfR52 KfR52_mu=0.0219; KfR52_sigma=0.89;

% KfR53 - check KfR53_mu=-1.1792; KfR53_sigma=0.89;

% KfR54 KfR54_mu=-1.9548; KfR54_sigma=0.89;

% KfR55 KfR55_mu=-2.6172; KfR55_sigma=0.89;

% KfR56 KfR56_mu=1.1827; KfR56_sigma=0.89;

% KfR57 KfR57_mu=1.1827; KfR57_sigma=0.89;

% KfR58 KfR58_mu=3.4233; KfR58_sigma=0.89;

% KfR59 KfR59_mu=1.1205; KfR59_sigma=0.89;

% KfR60 KfR60_mu=-2.6172; KfR60_sigma=0.89;

% KfR61 KfR61_mu=1.1205; KfR61_sigma=0.89;

% KfR62 KfR62_mu=-4.7274; KfR62_sigma=0.89;

% KfR63 KfR63_mu=1.1205; KfR63_sigma=0.89;

% KfR64 KfR64_mu=-5.0151; KfR64_sigma=0.89;

% KfR68 KfR68_mu=-4.1678; KfR68_sigma=0.89;

% KfR71 KfR71_mu=-4.1678; KfR71_sigma=0.89;

% KmsR100 KmsR100_mu=1.30; KmsR100_sigma=1.30;

% KmpR100 KmpR100_mu=1.30; KmpR100_sigma=1.30;

% LATKcat LATKcat_mu=3.31; LATKcat_sigma=0.94;

% KeqR100 KeqR100_mu=24.4512; KeqR100_sigma=0.89;

% ABCKmR22 ABCKmR22_mu=-2.6011; ABCKmR22_sigma=1.1244;

% ABCKmR23 ABCKmR23_mu=-2.6011; ABCKmR23_sigma=1.1244;

% ABCKmR24 ABCKmR24_mu=-2.6011; ABCKmR24_sigma=1.1244;

% ABCKmR25 ABCKmR25_mu=-2.6011; ABCKmR25_sigma=1.1244;

% ABCKmR26 ABCKmR26_mu=-2.6011; ABCKmR26_sigma=1.1244;

% ABCKmR27 ABCKmR27_mu=-2.6011; ABCKmR27_sigma=1.1244;

% ABCKmR28 ABCKmR28_mu=-2.6011; ABCKmR28_sigma=1.1244;

% ABCKmR29 ABCKmR29_mu=-2.6011; ABCKmR29_sigma=1.1244;

% ABCKmR30 ABCKmR30_mu=-2.6011; ABCKmR30_sigma=1.1244;

% ABCKmR31 ABCKmR31_mu=-2.6011; ABCKmR31_sigma=1.1244;

% ABCKmR32 ABCKmR32_mu=-2.6011; ABCKmR32_sigma=1.1244;

% ABCKmR33 ABCKmR33_mu=-2.6011; ABCKmR33_sigma=1.1244;

% ABCKmR34 ABCKmR34_mu=4.0130; ABCKmR34_sigma=0.89;

% ABCKmR35 ABCKmR35_mu=-2.6011; ABCKmR35_sigma=1.1244;

% ABCKmR36 ABCKmR36_mu=-2.6011; ABCKmR36_sigma=1.1244;

% ABCKmR37 ABCKmR37_mu=-2.6011; ABCKmR37_sigma=1.1244;

% ABCKmR38 ABCKmR38_mu=-2.6011; ABCKmR38_sigma=1.1244;

% ABCKmR39 ABCKmR39_mu=-2.6011; ABCKmR39_sigma=1.1244;

% ABCKmR40 ABCKmR40_mu=-2.6011; ABCKmR40_sigma=1.1244;

% ABCKmR41 ABCKmR41_mu=-2.6011; ABCKmR41_sigma=1.1244;

% ABCKmR42 ABCKmR42_mu=4.0130; ABCKmR42_sigma=0.89;

% ABCKmR67 ABCKmR67_mu=-2.6011; ABCKmR67_sigma=1.1244;

% ABCKmR70 ABCKmR70_mu=-2.6011; ABCKmR70_sigma=1.1244;

% PGTKcat PGTKcat_mu=0.92; PGTKcat_sigma=0.8;

% PGTKmR101 PGTKmR101_mu=-4.67; PGTKmR101_sigma=1.45;

% PGTKmR102 PGTKmR102_mu=-4.67; PGTKmR102_sigma=1.45;

% PGTKmR103 PGTKmR103_mu=-4.67; PGTKmR103_sigma=1.45;

% PGTKmR104 PGTKmR104_mu=-4.67; PGTKmR104_sigma=1.45;

% PGTKmR105 PGTKmR105_mu=-4.67; PGTKmR105_sigma=1.45;

% PGTKmR106 PGTKmR106_mu=-4.67; PGTKmR106_sigma=1.45;

% PGTKmR107 PGTKmR107_mu=-4.67; PGTKmR107_sigma=1.45;

% PGTKmR108 PGTKmR108_mu=-4.67; PGTKmR108_sigma=1.45;

% PGTKmR109 PGTKmR109_mu=-4.67; PGTKmR109_sigma=1.45;

% PGTKmR110 PGTKmR110_mu=-4.67; PGTKmR110_sigma=1.45;

% PGTKmR111 PGTKmR111_mu=-4.67; PGTKmR111_sigma=1.45;

% KmsR18 KmsR18_mu=2.54; KmsR18_sigma=1.92;

% KmpR18 KmpR18_mu=2.54; KmpR18_sigma=1.92;

% PHGPxKcatR18 PHGPxKcatR18_mu=11.2; PHGPxKcatR18_sigma=1.05;

% KeqR18 KeqR18_mu=46.32; KeqR18_sigma=0.89;

% KmsR20 KmsR20_mu=2.54; KmsR20_sigma=1.92;

% KmpR20 KmpR20_mu=2.54; KmpR20_sigma=1.92;

% PHGPxKcatR20 PHGPxKcatR20_mu=11.2; PHGPxKcatR20_sigma=1.05;

% KeqR20 KeqR20_mu=46.32; KeqR20_sigma=0.89;

% PGDH15 PGDH15_mu=-9.2304; PGDH15_sigma=6.77E-01;

% ABC ABC_mu=0.498; ABC_sigma=3.32E-01;

% COX1 Original COX1_mu=-6.4411; COX1_sigma=8.92E-01;

% COX1 Inhibitor % COX1_mu=-8.7442; % COX1_sigma=8.92E-01;

% % COX1 Inhibitor v2 1e-28 % COX1_mu= -64.4634; % COX1_sigma=0.0949; % % % % HEDH5 HEDH5_mu=-5.3937; HEDH5_sigma=5.88E-01;

% LOX12 LOX12_mu=-11.1002; LOX12_sigma=1.19E+00;

% LOX15 LOX15_mu=-9.8003; LOX15_sigma=9.46E-01;

% LOX5 Original LOX5_mu=-8.0196; LOX5_sigma=4.21E-01;

% % LOX5 Inhibitor % LOX5_mu=-10.3227; % LOX5_sigma=4.21E-01;

% LTA4H LTA4H_mu=-5.8727; LTA4H_sigma=1.99E-01;

% LTC4S LTC4S_mu=-8.5995; LTC4S_sigma=3.36E-01;

% PGDS PGDS_mu=-7.7018; PGDS_sigma=4.30E-01;

% % PGES - Generic % PGES_mu=-6.458; % PGES_sigma=9.67E-01;

% PGES - HaCaT PGES_mu=-6.9944; PGES_sigma= 0.0949;

% % PGES 46BR.1N % PGES_mu=-7.762559512; % PGES_sigma=0.66975987;

% PGFS PGFS_mu=-7.5675; PGFS_sigma=6.02E-01;

% PGIS PGIS_mu=-6.4411; PGIS_sigma=8.92E-01;

% PGT PGT_mu=-8.202; PGT_sigma=1.02E+00;

% PHGPX PHGPX_mu=-6.2899; PHGPX_sigma=2.96E-01;

% PLA2 PLA2_mu=-7.712; PLA2_sigma=1.27E+00;

% PTGR2 PTGR2_mu=-6.6178; PTGR2_sigma=1.09E+00;

% TXAS TXAS_mu=-6.4427; TXAS_sigma=1.16E+00;

%% Section 4: Generate distributions/multivariate distributions for each parameter/parameter sets

% Reaction 1 [KeqR1, KmsR1, KmpR1, PLA2Kcat] = Multikcat5f(KeqR1_mu, KeqR1_sigma, KmsR1_mu, KmsR1_sigma, KmpR1_mu, KmpR1_sigma, PLA2Kcat_mu, PLA2Kcat_sigma, ParamNo, 4.57E-05);

% Reaction 2 [KeqR2, KmsR2, KmpR2, COX2Kcat] = Multikcat5f(KeqR2_mu, KeqR2_sigma, KmsR2_mu, KmsR2_sigma, KmpR2_mu, KmpR2_sigma, COX2Kcat_mu, COX2Kcat_sigma, ParamNo, 2.27E-05);

% REACTION 3 [KeqR3, KmsR3, KmpR3, PGFSKcat] = Multikcat5f(KeqR3_mu, KeqR3_sigma, KmsR3_mu, KmsR3_sigma, KmpR3_mu, KmpR3_sigma, PGFSKcat_mu, PGFSKcat_sigma, ParamNo, 4.02E-04);

% REACTION 4 [KeqR4, KmsR4, KmpR4, TXASKcat] = Multikcat5f(KeqR4_mu, KeqR4_sigma, KmsR4_mu, KmsR4_sigma, KmpR4_mu, KmpR4_sigma, TXASKcat_mu, TXASKcat_sigma, ParamNo, 4.35E-04);

% REACTION 5 [KeqR5, KmsR5, KmpR5, PGISKcat] = Multikcat5f(KeqR5_mu, KeqR5_sigma, KmsR5_mu, KmsR5_sigma, KmpR5_mu, KmpR5_sigma, PGISKcat_mu, PGISKcat_sigma, ParamNo, 7.36E-04);

% REACTION 6 [KdR6, KfR6, KrR6] = Multivariate3f(-10.8133, 2.1222, KfR6_mu, KfR6_sigma, KrR6_mu, KrR6_sigma, ParamNo );

% REACTION 7 [KdR7, KfR7, KrR7] = Multivariate3f(-10.8133, 2.1222, KfR7_mu, KfR7_sigma, KrR7_mu, KrR7_sigma, ParamNo );

% REACTION 8 [KdR8, KfR8, KrR8] = Multivariate3f(-7.6136, 0.3073, KfR8_mu, KfR8_sigma, KrR8_mu, KrR8_sigma, ParamNo );

% REACTION 9 [KdR9, KfR9, KrR9] = Multivariate3f(-7.6136, 0.3073, KfR9_mu, KfR9_sigma, KrR9_mu, KrR9_sigma, ParamNo );

% REACTION 10 [KeqR10, KmsR10, KmpR10, PGESKcat] = Multikcat5f( KeqR10_mu, KeqR10_sigma, KmsR10_mu, KmsR10_sigma, KmpR10_mu, KmpR10_sigma, PGESKcat_mu, PGESKcat_sigma, ParamNo, 4.17E-04);

% REACTION 11 [KeqR11, KmsR11, KmpR11, LOX5Kcat] = Multikcat5f(KeqR11_mu, KeqR11_sigma, KmsR11_mu, KmsR11_sigma, KmpR11_mu, KmpR11_sigma, LOX5Kcat_mu, LOX5Kcat_sigma, ParamNo, 2.76E-04);

% REACTION 12,18 AND 20 [KeqR12, KmsR12, KmpR12, PHGPxKcatR12] = Multikcat5f(KeqR12_mu, KeqR12_sigma, KmsR12_mu, KmsR12_sigma, KmpR12_mu, KmpR12_sigma, PHGPxKcatR12_mu, PHGPxKcatR12_sigma, ParamNo, 1.70E-03);

[KeqR18, KmsR18, KmpR18, PHGPxKcatR18] = Multikcat5f(KeqR18_mu, KeqR18_sigma, KmsR18_mu, KmsR18_sigma, KmpR18_mu, KmpR18_sigma, PHGPxKcatR18_mu, PHGPxKcatR18_sigma, ParamNo, 1.70E-03);

[KeqR20, KmsR20, KmpR20, PHGPxKcatR20] = Multikcat5f(KeqR20_mu, KeqR20_sigma, KmsR20_mu, KmsR20_sigma, KmpR20_mu, KmpR20_sigma, PHGPxKcatR20_mu, PHGPxKcatR20_sigma, ParamNo, 1.70E-03);

% REACTION 13 [KeqR13, KmsR13, KmpR13, LOX5FLAPKcat] = Multikcat5f(KeqR13_mu, KeqR13_sigma, KmsR13_mu, KmsR13_sigma, KmpR13_mu, KmpR13_sigma, LOX5FLAPKcat_mu, LOX5FLAPKcat_sigma, ParamNo, 2.76E-04);

% REACTION 14 [KeqR14, KmsR14, KmpR14, HEDH5Kcat] = Multikcat5f(KeqR14_mu, KeqR14_sigma, KmsR14_mu, KmsR14_sigma, KmpR14_mu, KmpR14_sigma, HEDH5Kcat_mu, HEDH5Kcat_sigma, ParamNo, 2.71E-03);

% REACTION 15 [KeqR15, KmsR15, KmpR15, LTA4HKcat] = Multikcat5f(KeqR15_mu, KeqR15_sigma, KmsR15_mu, KmsR15_sigma, KmpR15_mu, KmpR15_sigma, LTA4HKcat_mu, LTA4HKcat_sigma, ParamNo, 2.71E-03);

% R16 (LTC4S) [KeqR16, KmsR16, KmpR16, LTC4SKcat] = Multikcat5f(KeqR16_mu, KeqR16_sigma, KmsR16_mu, KmsR16_sigma, KmpR16_mu, KmpR16_sigma, LTC4SKcat_mu, LTC4SKcat_sigma, ParamNo, 1.65E-04);

% R17 (LOX15) [KeqR17, KmsR17, KmpR17, LOX15Kcat] = Multikcat5f(KeqR17_mu, KeqR17_sigma, KmsR17_mu, KmsR17_sigma , KmpR17_mu, KmpR17_sigma, LOX15Kcat_mu, LOX15Kcat_sigma, ParamNo, 2.26E-05);

% R19 (LOX12) [KeqR19, KmsR19, KmpR19, LOX12Kcat] = Multikcat5f(KeqR19_mu, KeqR19_sigma, KmsR19_mu, KmsR19_sigma, KmpR19_mu, KmpR19_sigma, LOX12Kcat_mu, LOX12Kcat_sigma, ParamNo, 5.20E-06);

% R21 (PGDS) [KeqR21, KmsR21, KmpR21, PGDSKcat] = Multikcat5f(KeqR21_mu, KeqR21_sigma, KmsR21_mu, KmsR21_sigma, KmpR21_mu, KmpR21_sigma, PGDSKcat_mu, PGDSKcat_sigma, ParamNo, 3.76E-04);

% R65 [KeqR65, KmsR65, KmpR65, COX1Kcat] = Multikcat5f(KeqR65_mu, KeqR65_sigma, KmsR65_mu, KmsR65_sigma, KmpR65_mu, KmpR65_sigma, COX1Kcat_mu, COX1Kcat_sigma, ParamNo, 7.19E-04);

% R66 (PGDH15) [KeqR66, KmsR66, KmpR66, PGDH15Kcat] = Multikcat5f(KeqR66_mu, KeqR66_sigma, KmsR66_mu, KmsR66_sigma, KmpR66_mu, KmpR66_sigma, PGDH15Kcat_mu, PGDH15Kcat_sigma, ParamNo, 5.22E-05);

% R69 (PTGR2) [KeqR69, KmsR69, KmpR69, PTGR2Kcat] = Multikcat5f(KeqR69_mu, KeqR69_sigma, KmsR69_mu, KmsR69_sigma, KmpR69_mu, KmpR69_sigma, PTGR2Kcat_mu, PTGR2Kcat_sigma, ParamNo, 6.72E-04);

% REACTION 100 [KeqR100, KmsR100, KmpR100, LATKcat] = Multikcat5f(KeqR100_mu, KeqR100_sigma, KmsR100_mu, KmsR100_sigma, KmpR100_mu, KmpR100_sigma, LATKcat_mu, LATKcat_sigma, ParamNo, 8.81E-05);

% INTRACELLULAR EICOSANOID EXPORT(ABC) % R22-42, 67, 70

% ABCKmR22 PGF2A % Mode: 0.021 CIF:23.6964 pd81=makedist('Lognormal', ABCKmR22_mu, ABCKmR22_sigma); ABCKmR22=random(pd81,ParamNo,1);

% ABCKmR23 TXB2 % Mode: 0.021 CIF:23.6964 pd106=makedist('Lognormal', ABCKmR23_mu, ABCKmR23_sigma); ABCKmR23=random(pd106,ParamNo,1);

% ABCKmR24 K6PGF1A % Mode: 0.021 CIF:23.6964 pd107=makedist('Lognormal', ABCKmR24_mu, ABCKmR24_sigma); ABCKmR24=random(pd107,ParamNo,1);

% ABCKmR25 PGE2 % Mode: 0.021 CIF:23.6964 pd108=makedist('Lognormal', ABCKmR25_mu, ABCKmR25_sigma); ABCKmR25 =random(pd108,ParamNo,1);

% ABCKmR26 D15PGJ2 % Mode: 0.021 CIF:23.6964 pd109=makedist('Lognormal', ABCKmR26_mu, ABCKmR26_sigma); ABCKmR26=random(pd109,ParamNo,1);

% ABCKmR27 OETE5 % Mode: 0.021 CIF:23.6964 pd110=makedist('Lognormal', ABCKmR27_mu, ABCKmR27_sigma); ABCKmR27=random(pd110,ParamNo,1);

% ABCKmR28 HETE15 % Mode: 0.021 CIF:23.6964 pd111=makedist('Lognormal', ABCKmR28_mu, ABCKmR28_sigma); ABCKmR28=random(pd111,ParamNo,1);

% ABCKmR29 LTB4 % Mode: 0.021 CIF:23.6964 pd112=makedist('Lognormal', ABCKmR29_mu, ABCKmR29_sigma); ABCKmR29=random(pd112,ParamNo,1);

% ABCKmR30 LTC4 % Mode: 0.021 CIF:23.6964 pd113=makedist('Lognormal', ABCKmR30_mu, ABCKmR30_sigma); ABCKmR30=random(pd113,ParamNo,1);

% ABCKmR31 HETE12 % Mode: 0.021 CIF:23.6964 pd114=makedist('Lognormal', ABCKmR31_mu, ABCKmR31_sigma); ABCKmR31=random(pd114,ParamNo,1);

% ABCKmR32 TXA2 % Mode: 0.021 CIF:23.6964 pd115=makedist('Lognormal', ABCKmR32_mu, ABCKmR32_sigma); ABCKmR32=random(pd115,ParamNo,1);

% ABCKmR33 PGI2 % Mode: 0.021 CIF:23.6964 pd116=makedist('Lognormal', ABCKmR33_mu, ABCKmR33_sigma); ABCKmR33=random(pd116,ParamNo,1);

% ABCKmR34 PGH2 % Mode: 25, CI: 10 pd117=makedist('Lognormal', ABCKmR34_mu, ABCKmR34_sigma); ABCKmR34=random(pd117,ParamNo,1);

% ABCKmR35 PGD2 % Mode: 0.021 CIF:23.6964 pd118=makedist('Lognormal', ABCKmR35_mu, ABCKmR35_sigma); ABCKmR35=random(pd118,ParamNo,1);

% ABCKmR36 PGJ2 % Mode: 0.021 CIF:23.6964 pd119=makedist('Lognormal', ABCKmR36_mu, ABCKmR36_sigma); ABCKmR36=random(pd119,ParamNo,1);

% ABCKmR37 12HPETE % Mode: 0.021 CIF:23.6964 pd120=makedist('Lognormal', ABCKmR37_mu, ABCKmR37_sigma); ABCKmR37=random(pd120,ParamNo,1);

% ABCKmR38 15HPETE % Mode: 0.021 CIF:23.6964 pd121=makedist('Lognormal', ABCKmR38_mu, ABCKmR38_sigma); ABCKmR38=random(pd121,ParamNo,1);

% ABCKmR39 5HPETE % Mode: 0.021 CIF:23.6964 pd122=makedist('Lognormal', ABCKmR39_mu, ABCKmR39_sigma); ABCKmR39=random(pd122,ParamNo,1);

% ABCKmR40 HETE5 % Mode: 0.021 CIF:23.6964 pd123=makedist('Lognormal', ABCKmR40_mu, ABCKmR40_sigma); ABCKmR40=random(pd123,ParamNo,1);

% ABCKmR41 LTA4 % Mode: 0.021 CIF:23.6964 pd124=makedist('Lognormal', ABCKmR41_mu, ABCKmR41_sigma); ABCKmR41=random(pd124,ParamNo,1);

% ABCKmR42 AA % Mode: 25, CI: 10 pd125=makedist('Lognormal', ABCKmR42_mu, ABCKmR42_sigma); ABCKmR42=random(pd125,ParamNo,1);

% ABCKmR67 KPGE215 % Mode: 0.021 CIF:23.6964 pd126=makedist('Lognormal', ABCKmR67_mu, ABCKmR67_sigma); ABCKmR67=random(pd126,ParamNo,1);

% ABCKmR70 DHKPGE215 % Mode: 0.021 CIF:23.6964 pd127=makedist('Lognormal', ABCKmR70_mu, ABCKmR70_sigma); ABCKmR70=random(pd127,ParamNo,1);

% ABCKcat % Mode: 1.33 CI:7.30 pd82=makedist('Lognormal', ABCKcat_mu, ABCKcat_sigma); % ABCKcat=random(pd82,ParamNo,1);


% DECAY PARAMETERS

% KfR44 % Mode: 0.001, CI: 10 pd83=makedist('Lognormal', KfR44_mu, KfR44_sigma); KfR44=random(pd83,ParamNo,1);

% KfR45 % Mode:0.035 , CI: 10 pd84=makedist('Lognormal', KfR45_mu, KfR45_sigma); KfR45=random(pd84,ParamNo,1);

% KfR46 % Mode: 2.079, CI: 10 pd85=makedist('Lognormal', KfR46_mu, KfR46_sigma); KfR46=random(pd85,ParamNo,1);

% KfR47 % Mode:0.231 , CI: 10 pd86=makedist('Lognormal', KfR47_mu, KfR47_sigma); KfR47=random(pd86,ParamNo,1);

% KfR48 % Mode:0.99 , CI: 10 pd87=makedist('Lognormal', KfR48_mu, KfR48_sigma); KfR48=random(pd87,ParamNo,1);

% KfR49 % Mode: 0.001, CI: 10 pd88=makedist('Lognormal', KfR49_mu, KfR49_sigma); KfR49=random(pd88,ParamNo,1);

% KfR50 % Mode: 0.001, CI: 10 pd89=makedist('Lognormal', KfR50_mu, KfR50_sigma); KfR50=random(pd89,ParamNo,1);

% KfR51 % Mode: 0.001, CI: 10 pd90=makedist('Lognormal', KfR51_mu, KfR51_sigma); KfR51=random(pd90,ParamNo,1);

% KfR52 % Mode: 0.462, CI: 10 pd91=makedist('Lognormal', KfR52_mu, KfR52_sigma); KfR52=random(pd91,ParamNo,1);

% KfR53 % Mode:0.139, CI: 10 pd92=makedist('Lognormal', KfR53_mu, KfR53_sigma); KfR53=random(pd92,ParamNo,1);

% KfR54 % Mode: 0.064, CI: 10 pd93=makedist('Lognormal', KfR54_mu, KfR54_sigma); KfR54=random(pd93,ParamNo,1);

% KfR55 % Mode: 0.033, CI: 10 pd94=makedist('Lognormal', KfR55_mu, KfR55_sigma); KfR55=random(pd94,ParamNo,1);

% KfR56 % Mode: 1.475, CI: 10 pd95=makedist('Lognormal', KfR56_mu, KfR56_sigma); KfR56=random(pd95,ParamNo,1);

% KfR57 % Mode:1.475 , CI: 10 pd96=makedist('Lognormal', KfR57_mu, KfR57_sigma); KfR57=random(pd96,ParamNo,1);

% KfR58 % Mode: 13.863, CI: 10 pd97=makedist('Lognormal', KfR58_mu, KfR58_sigma); KfR58=random(pd97,ParamNo,1);

% KfR59 % Mode:1.386 , CI: 10 pd98=makedist('Lognormal', KfR59_mu, KfR59_sigma); KfR59=random(pd98,ParamNo,1);

% KfR60 % Mode: 0.033, CI: 10 pd99=makedist('Lognormal', KfR60_mu, KfR60_sigma); KfR60=random(pd99,ParamNo,1);

% KfR61 % Mode: 1.386, CI: 10 pd100=makedist('Lognormal', KfR61_mu, KfR61_sigma); KfR61=random(pd100,ParamNo,1);

% KfR62 % Mode: 0.004, CI: 10 pd101=makedist('Lognormal', KfR62_mu, KfR62_sigma); KfR62=random(pd101,ParamNo,1);

% KfR63 % Mode: 1.386, CI: 10 pd102=makedist('Lognormal', KfR63_mu, KfR63_sigma); KfR63=random(pd102,ParamNo,1);

% KfR64 % Mode:0.003 , CI: 10 pd103=makedist('Lognormal', KfR64_mu, KfR64_sigma); KfR64=random(pd103,ParamNo,1);

% KfR68 % Mode: 0.007, CI: 10 pd104=makedist('Lognormal', KfR68_mu, KfR68_sigma); KfR68=random(pd104,ParamNo,1);

% KfR71 % Mode: 0.007, CI: 10 pd105=makedist('Lognormal', KfR71_mu, KfR71_sigma); KfR71=random(pd105,ParamNo,1);

% PGT Transporter Paramters

%PGTKcat % Mode: 1.33 CIF:7.30 pd106=makedist('Lognormal', PGTKcat_mu, PGTKcat_sigma); PGTKcat=random(pd106,ParamNo,1);

%PGTKmR101 PGF2a %Mode: 4.79E-04 CIF:96.9951 pd107=makedist('Lognormal', PGTKmR101_mu, PGTKmR101_sigma); PGTKmR101=random(pd107,ParamNo,1);

%PGTKmR102 PGE2 %Mode: 4.15E-04 CIF:90.3325 pd108=makedist('Lognormal', PGTKmR102_mu, PGTKmR102_sigma); PGTKmR102=random(pd108,ParamNo,1);

%PGTKmR103 PGI2 %Mode: 1.10E-03 CIF: 94.21 pd109=makedist('Lognormal', PGTKmR103_mu, PGTKmR103_sigma); PGTKmR103=random(pd109,ParamNo,1);

%PGTKmR104 PGD2 %Mode: 1.10E-03 CIF: 94.21 pd110=makedist('Lognormal', PGTKmR104_mu, PGTKmR104_sigma); PGTKmR104=random(pd110,ParamNo,1);

%PGTKmR105 PGJ2 %Mode: 1.10E-03 CIF: 94.21 pd111=makedist('Lognormal', PGTKmR105_mu, PGTKmR105_sigma); PGTKmR105=random(pd111,ParamNo,1);

%PGTKmR106 TXB2 %Mode:4.95E-04 CIF:79.5062 pd112=makedist('Lognormal', PGTKmR106_mu, PGTKmR106_sigma); PGTKmR106=random(pd112,ParamNo,1);

%PGTKmR107 DHKPGE215 %Mode:0.0045 CIF:107.2898 pd113=makedist('Lognormal', PGTKmR107_mu, PGTKmR107_sigma); PGTKmR107=random(pd113,ParamNo,1);

%PGTKmR108 KPGE215 %Mode:0.0045 CIF:107.2898 pd114=makedist('Lognormal', PGTKmR108_mu, PGTKmR108_sigma); PGTKmR108=random(pd114,ParamNo,1);

%PGTKmR109 K6PGF1a %Mode:0.0013 CIF:95.5996 pd115=makedist('Lognormal', PGTKmR109_mu, PGTKmR109_sigma); PGTKmR109=random(pd115,ParamNo,1);

%PGTKmR110 TXA2 %Mode: 1.10E-03 CIF: 94.21 pd116=makedist('Lognormal', PGTKmR110_mu, PGTKmR110_sigma); PGTKmR110=random(pd116,ParamNo,1);

%PGTKmR111 D15PGJ2 %Mode: 1.10E-03 CIF: 94.21 pd117=makedist('Lognormal', PGTKmR111_mu, PGTKmR111_sigma); PGTKmR111=random(pd117,ParamNo,1);

% Enzyme concentrations

%15-PGDH %Mode: 6.20E-05 CIF: 2.30E+00 pd118=makedist('Lognormal', PGDH15_mu, PGDH15_sigma); PGDH15=random(pd118,ParamNo,1);

%ABC %Mode: 1.45E+00 CIF:1.42E+00 pd119=makedist('Lognormal', ABC_mu, ABC_sigma); ABC=random(pd119,ParamNo,1);

%COX1 %Mode: 7.19E-04 CIF: 3.48E+00 pd120=makedist('Lognormal', COX1_mu, COX1_sigma); %Normal concentration % pd120=makedist('Lognormal',-8.7442,8.92E-01); %NSAID treated cell with 10% of COX COX1=random(pd120,ParamNo,1);

%HEDH5 %Mode: 2.71E-03 CIF:2.00E+00 pd122=makedist('Lognormal', HEDH5_mu, HEDH5_sigma); HEDH5=random(pd122,ParamNo,1);

%LOX12 %Mode: 3.70E-06 CIF:7.22E+00 pd123=makedist('Lognormal', LOX12_mu, LOX12_sigma); LOX12=random(pd123,ParamNo,1);

%LOX15 %Mode: 2.26E-05 CIF:3.93E+00 pd124=makedist('Lognormal', LOX15_mu, LOX15_sigma); LOX15=random(pd124,ParamNo,1);

%LOX5 %Mode: 2.76E-04 CIF:1.58E+00 pd125=makedist('Lognormal', LOX5_mu, LOX5_sigma); LOX5=random(pd125,ParamNo,1);

%LTA4H %Mode: 2.71E-03 CIF:1.22E+00 pd126=makedist('Lognormal', LTA4H_mu, LTA4H_sigma); LTA4H=random(pd126,ParamNo,1);

%LTC4S %Mode:1.65E-04 CIF:1.43E+00 pd127=makedist('Lognormal', LTC4S_mu, LTC4S_sigma); LTC4S=random(pd127,ParamNo,1);

%PGDS %Mode:3.76E-04 CIF:1.62E+00 pd128=makedist('Lognormal', PGDS_mu, PGDS_sigma); PGDS=random(pd128,ParamNo,1);

%PGES %Mode:6.16E-04 CIF:4.12E+00 pd129=makedist('Lognormal', PGES_mu, PGES_sigma); PGES=random(pd129,ParamNo,1);

%PGFS %Mode:3.60E-04 CIF:2.04E+00 pd130=makedist('Lognormal', PGFS_mu, PGFS_sigma); PGFS=random(pd130,ParamNo,1);

%PGIS %Mode:7.19E-04 CIF:3.48E+00 pd131=makedist('Lognormal', PGIS_mu, PGIS_sigma); PGIS=random(pd131,ParamNo,1);

%PGT %Mode:9.63E-05 CIF:4.70E+00 pd132=makedist('Lognormal', PGT_mu, PGT_sigma); PGT=random(pd132,ParamNo,1);

%PHGPX %Mode:1.70E-03 CIF:1.36E+00 pd133=makedist('Lognormal', PHGPX_mu, PHGPX_sigma); PHGPX=random(pd133,ParamNo,1);

%PLA2 %Mode:8.83E-05 CIF:9.33E+00 pd134=makedist('Lognormal', PLA2_mu, PLA2_sigma); PLA2=random(pd134,ParamNo,1);

%PTGR2 %Mode:4.10E-04 CIF:5.53E+00 pd135=makedist('Lognormal', PTGR2_mu, PTGR2_sigma); PTGR2=random(pd135,ParamNo,1);

%TXAS %Mode:4.17E-04 CIF:6.67E+00 pd136=makedist('Lognormal', TXAS_mu, TXAS_sigma); TXAS=random(pd136,ParamNo,1);


%% Section 5: Sampling of log-normal distribution and simulation details

ParamSets=[KmsR1 KmpR1 PLA2Kcat KeqR1 KmsR2 KmpR2 COX2Kcat KeqR2 KmsR3 KmpR3 PGFSKcat KeqR3 KmsR4 KmpR4 TXASKcat KeqR4 KmsR5 KmpR5 PGISKcat KeqR5 KfR6 KrR6 KfR7 KrR7 KfR8 KrR8 KfR9 KrR9 KmsR10 KmpR10 PGESKcat KeqR10 KmsR11 KmpR11 LOX5Kcat KeqR11 KmsR12 KmpR12 PHGPxKcatR12 KeqR12 KmsR13 KmpR13 LOX5FLAPKcat KeqR13 KmsR14 KmpR14 HEDH5Kcat KeqR14 KmsR15 KmpR15 LTA4HKcat KeqR15 KmsR16 KmpR16 LTC4SKcat KeqR16 KmsR17 KmpR17 LOX15Kcat KeqR17 KmsR19 KmpR19 LOX12Kcat KeqR19 KmsR21 KmpR21 PGDSKcat KeqR21 KmsR65 KmpR65 COX1Kcat KeqR65 KmsR66 KmpR66 PGDH15Kcat KeqR66 KmsR69 KmpR69 PTGR2Kcat KeqR69 ABCKcat KfR44 KfR45 KfR46 KfR47 KfR48 KfR49 KfR50 KfR51 KfR52 KfR53 KfR54 KfR55 KfR56 KfR57 KfR58 KfR59 KfR60 KfR61 KfR62 KfR63 KfR64 KfR68 KfR71 KmsR100 KmpR100 LATKcat KeqR100 ABCKmR22 ABCKmR23 ABCKmR24 ABCKmR25 ABCKmR26 ABCKmR27 ABCKmR28 ABCKmR29 ABCKmR30 ABCKmR31 ABCKmR32 ABCKmR33 ABCKmR34 ABCKmR35 ABCKmR36 ABCKmR37 ABCKmR38 ABCKmR39 ABCKmR40 ABCKmR41 ABCKmR42 ABCKmR67 ABCKmR70 PGTKcat PGTKmR101 PGTKmR102 PGTKmR103 PGTKmR104 PGTKmR105 PGTKmR106 PGTKmR107 PGTKmR108 PGTKmR109 PGTKmR110 PGTKmR111 KmsR18 KmpR18 PHGPxKcatR18 KeqR18 KmsR20 KmpR20 PHGPxKcatR20 KeqR20 PGDH15 ABC COX1 HEDH5 LOX12 LOX15 LOX5 LTA4H LTC4S PGDS PGES PGFS PGIS PGT PHGPX PLA2 PTGR2 TXAS];

options = odeset('RelTol',1e-15,'AbsTol',1e-14,'NormControl','on'); iter = ParamNo;

countFailed = 0; countNormal = 0; countAbnormal = 0; j=0; z=0; m=0;

for i=1:iter CF1=0;CF2=0;CF3=0; CN1=0;CN2=0;CN3=0; CA1=0;CA2=0;CA3=0; 

  KmsR1 = ParamSets(i,1);  
  KmpR1 = ParamSets(i,2);
  PLA2Kcat = ParamSets(i,3); 
  KeqR1 = ParamSets(i,4); 
  KmsR2 = ParamSets(i,5); 
  KmpR2 = ParamSets(i,6); 
  COX2Kcat  = ParamSets(i,7);
  KeqR2  = ParamSets(i,8);
  KmsR3  = ParamSets(i,9);
  KmpR3  = ParamSets(i,10);
  PGFSKcat  = ParamSets(i,11);
  KeqR3  = ParamSets(i,12);
  KmsR4  = ParamSets(i,13);
  KmpR4   = ParamSets(i,14);
  TXASKcat  = ParamSets(i,15);
  KeqR4   = ParamSets(i,16);
  KmsR5  = ParamSets(i,17);
  KmpR5  = ParamSets(i,18);
  PGISKcat  = ParamSets(i,19);
  KeqR5   = ParamSets(i,20);
  KfR6  = ParamSets(i,21); 
  KrR6  = ParamSets(i,22);
  KfR7  = ParamSets(i,23);
  KrR7  = ParamSets(i,24);
  KfR8  = ParamSets(i,25);
  KrR8  = ParamSets(i,26);
  KfR9   = ParamSets(i,27);
  KrR9   = ParamSets(i,28);
  KmsR10  = ParamSets(i,29);
  KmpR10  = ParamSets(i,30);
  PGESKcat   = ParamSets(i,31);
  KeqR10   = ParamSets(i,32);
  KmsR11   = ParamSets(i,33);
  KmpR11   = ParamSets(i,34);
  LOX5Kcat   = ParamSets(i,35);
  KeqR11   = ParamSets(i,36);
  KmsR12  = ParamSets(i,37);
  KmpR12  = ParamSets(i,38);
  PHGPxKcatR12  = ParamSets(i,39);
  KeqR12   = ParamSets(i,40);
  KmsR13  = ParamSets(i,41);
  KmpR13  = ParamSets(i,42);
  LOX5FLAPKcat   = ParamSets(i,43);
  KeqR13   = ParamSets(i,44);
  KmsR14  = ParamSets(i,45);
  KmpR14   = ParamSets(i,46);
  HEDH5Kcat   = ParamSets(i,47);
  KeqR14   = ParamSets(i,48);
  KmsR15  = ParamSets(i,49);
  KmpR15   = ParamSets(i,50);
  LTA4HKcat  = ParamSets(i,51); 
  KeqR15 = ParamSets(i,52);  
  KmsR16  = ParamSets(i,53);
  KmpR16   = ParamSets(i,54);
  LTC4SKcat  = ParamSets(i,55); 
  KeqR16   = ParamSets(i,56);
  KmsR17  = ParamSets(i,57);
  KmpR17  = ParamSets(i,58);
  LOX15Kcat  = ParamSets(i,59);
  KeqR17   = ParamSets(i,60);
  KmsR19   = ParamSets(i,61);
  KmpR19  = ParamSets(i,62);
  LOX12Kcat   = ParamSets(i,63);
  KeqR19   = ParamSets(i,64);
  KmsR21   = ParamSets(i,65);
  KmpR21   = ParamSets(i,66);
  PGDSKcat  = ParamSets(i,67);
  KeqR21   = ParamSets(i,68);
  KmsR65  = ParamSets(i,69);
  KmpR65  = ParamSets(i,70);
  COX1Kcat  = ParamSets(i,71);
  KeqR65   = ParamSets(i,72);
  KmsR66  = ParamSets(i,73);
  KmpR66   = ParamSets(i,74);
  PGDH15Kcat  = ParamSets(i,75);
  KeqR66   = ParamSets(i,76);
  KmsR69   = ParamSets(i,77);
  KmpR69  = ParamSets(i,78);
  PTGR2Kcat   = ParamSets(i,79);
  KeqR69   = ParamSets(i,80);
  ABCKcat   = ParamSets(i,81);
  KfR44   = ParamSets(i,82);
  KfR45   = ParamSets(i,83);
  KfR46   = ParamSets(i,84);
  KfR47   = ParamSets(i,85);
  KfR48   = ParamSets(i,86);
  KfR49   = ParamSets(i,87);
  KfR50   = ParamSets(i,88);
  KfR51   = ParamSets(i,89);
  KfR52   = ParamSets(i,90);
  KfR53   = ParamSets(i,91);
  KfR54   = ParamSets(i,92);
  KfR55   = ParamSets(i,93);
  KfR56   = ParamSets(i,94);
  KfR57   = ParamSets(i,95);
  KfR58   = ParamSets(i,96);
  KfR59   = ParamSets(i,97);
  KfR60   = ParamSets(i,98);
  KfR61   = ParamSets(i,99);
  KfR62   = ParamSets(i,100);
  KfR63  = ParamSets(i,101);
  KfR64   = ParamSets(i,102);
  KfR68  = ParamSets(i,103);
  KfR71 = ParamSets(i,104);
  KmsR100 = ParamSets(i,105); 
  KmpR100 = ParamSets(i,106); 
  LATKcat = ParamSets(i,107); 
  KeqR100 = ParamSets(i,108);
  ABCKmR22 = ParamSets(i,109); 
  ABCKmR23 = ParamSets(i,110); 
  ABCKmR24 = ParamSets(i,111); 
  ABCKmR25 = ParamSets(i,112); 
  ABCKmR26 = ParamSets(i,113); 
  ABCKmR27 = ParamSets(i,114); 
  ABCKmR28 = ParamSets(i,115); 
  ABCKmR29 = ParamSets(i,116); 
  ABCKmR30 = ParamSets(i,117); 
  ABCKmR31 = ParamSets(i,118); 
  ABCKmR32 = ParamSets(i,119); 
  ABCKmR33 = ParamSets(i,120); 
  ABCKmR34 = ParamSets(i,121); 
  ABCKmR35 = ParamSets(i,122); 
  ABCKmR36 = ParamSets(i,123); 
  ABCKmR37 = ParamSets(i,124); 
  ABCKmR38 = ParamSets(i,125); 
  ABCKmR39 = ParamSets(i,126); 
  ABCKmR40 = ParamSets(i,127); 
  ABCKmR41 = ParamSets(i,128); 
  ABCKmR42 = ParamSets(i,129); 
  ABCKmR67 = ParamSets(i,130); 
  ABCKmR70 = ParamSets(i,131);
  PGTKcat = ParamSets(i,132);
  PGTKmR101 = ParamSets(i,133);
  PGTKmR102 = ParamSets(i,134);
  PGTKmR103 = ParamSets(i,135);
  PGTKmR104 = ParamSets(i,136);
  PGTKmR105 = ParamSets(i,137);
  PGTKmR106 = ParamSets(i,138);
  PGTKmR107 = ParamSets(i,139);
  PGTKmR108 = ParamSets(i,140);
  PGTKmR109 = ParamSets(i,141);
  PGTKmR110 = ParamSets(i,142);
  PGTKmR111 = ParamSets(i,143);
  KmsR18 = ParamSets(i,144);
  KmpR18 = ParamSets(i,145);
  PHGPxKcatR18 = ParamSets(i,146);
  KeqR18 = ParamSets(i,147);
  KmsR20 = ParamSets(i,148);
  KmpR20 = ParamSets(i,149);
  PHGPxKcatR20 = ParamSets(i,150);
  KeqR20 = ParamSets(i,151);
  PGDH15 = ParamSets(i,152);
  ABC = ParamSets(i,153);
  COX1 = ParamSets(i,154);
  HEDH5 = ParamSets(i,155);
  LOX12 = ParamSets(i,156);
  LOX15 = ParamSets(i,157);
  LOX5 = ParamSets(i,158);
  LTA4H = ParamSets(i,159);
  LTC4S = ParamSets(i,160);
  PGDS = ParamSets(i,161);
  PGES = ParamSets(i,162);
  PGFS = ParamSets(i,163);
  PGIS = ParamSets(i,164);
  PGT = ParamSets(i,165);
  PHGPX = ParamSets(i,166);
  PLA2 = ParamSets(i,167);
  PTGR2 = ParamSets(i,168);
  TXAS = ParamSets(i,169);

%% Section 6: Initial metabolite concentrations, event triggers and classification of simulations as normal/abnormal/failed

time=60; %Activation time tspan=0:0.5:time; %Length of simulation and step size y0=ones(49,1)*1E-28; %Initial metabolite concentration

c=0; % Maximum concentration of AA(mM) c2=0; %Decay switch for AA c3= 0; % Maximum concentration of COX-2 (mM): 2.27E-2 mM c4=0; % Decay switch for COX-2

[t,y] = ode15s(@Model,tspan,y0); 

  if (max(t)<time)
       display(i);
       countFailed = countFailed + 1;
       CF1 = CF1 +1;

  else if (min(y(:,26))<= 0) %Classifies the simulation as abnormal if the concentration of PGE2 goes equal or below zero.
           countAbnormal = countAbnormal + 1;
           CA1 = CA1 +1;
       else
           countNormal = countNormal + 1;
           CN1 = CN1 +1;
       end
   end

test{1,1} = [i]; test{1,2} = t; test{1,3} = y;


Endvalues=y(length(t),:); y2=Endvalues; y2=y2'; time2=240; %Second activation time tspan2=time:0.5:time2;

c=5.77E-04; % Maximum concentration of AA(mM) % In silico experiment values for c: H + A23187: 5.77E-04, H + ATP: 2.40E-04, H + UVR: 5.11E-04, H + Indomethacin + A23187: 4.65E-04, F + UVR:1.22E-04, F + A23187:1.54E-04, F+ATP:9.36E-06, F + Indo:6.00E-05

c2=0; %Decay switch for AA c3= 0; % Maximum concentration of COX-2 (mM): 2.27E-2 mM c4=0; % Decay switch for COX-2

[t,y] = ode15s(@Model,tspan2,y2,options);

if (max(t)<time2) 

       display(i);
       countFailed = countFailed + 1;
       CF2 = CF2 +1;
   else if (min(y(:,26))<= 0) 
           countAbnormal = countAbnormal + 1;
           CA2 = CA2 +1;           
       else
           countNormal = countNormal + 1;
           CN2 = CN2 +1;
       end

end 

test{2,1} = [i];
test{2,2} = t;
test{2,3} = y;

Endvalues2=y(length(t),:); y3=[Endvalues2]; y3=y3'; time3=420; % Final time point of the simulation tspan3=time2:0.5:time3;

c=5.77E-04; % Maximum concentration of AA(mM) % In silico experiment values for c: H + A23187: 5.77E-04, H + ATP: 2.40E-04, H + UVR: 5.11E-04, H + Indomethacin + A23187: 4.65E-04, F + UVR:1.22E-04, F + A23187:1.54E-04, F+ATP:9.36E-06, F + Indo:6.00E-05

c2=0; %Decay switch for AA c3= 0; % Maximum concentration of COX-2 (mM): 2.27E-2 mM c4=0; % Decay switch for COX-2 

   [t,y] = ode15s(@Model,tspan3,y3,options);

   if (max(t)<time3)
       display(i);
       countFailed = countFailed + 1;
       CF3 = CF3 +1;
   else if (min(y(:,26))<= 0)  
           countAbnormal = countAbnormal + 1;
       else
           countNormal = countNormal + 1;
           CN3 = CN3 +1;
       end

end test{3,1} = [i]; test{3,2} = t; test{3,3} = y;

if CN1 == 1 && CN2 == 1 && CN3 ==1 %1 

   normal{i,1}=test{1,1};
   normal{i,2}=[test{1,2}; test{2,2}; test{3,2}];
   normal{i,3}=[test{1,3}; test{2,3}; test{3,3}];

elseif CN1 == 1 && CN2 == 1 && CA3 ==1 || CN1 == 1 && CA2 == 1 && CA3 ==1 || CN1 == 1 && CA2 == 1 && CN3 ==1 || CA1 == 1 && CA2 == 1 && CA3 ==1 || CA1 == 1 && CA2 == 1 && CN3 ==1 || CA1 == 1 && CN2 == 1 && CN3 ==1 || CA1 == 1 && CN2 == 1 && CA3 ==1 

   abnormal{i,1}=test{1,1};
   abnormal{i,2}=[test{1,2}; test{2,2}; test{3,2}];
   abnormal{i,3}=[test{1,3}; test{2,3}; test{3,3}];

elseif CN1 == 1 && CN2 == 1 && CF3 ==1 || CN1 == 1 && CA2 == 1 && CF3 ==1 ||CN1 == 1 && CF2 == 1 && CA3 ==1 || CN1 == 1 && CF2 == 1 && CF3 ==1 ||CN1 == 1 && CF2 == 1 && CN3 ==1 || CA1 == 1 && CA2 == 1 && CF3 ==1 ||CA1 == 1 && CN2 == 1 && CF3 ==1 || CA1 == 1 && CF2 == 1 && CN3 ==1 ||CA1 == 1 && CF2 == 1 && CF3 ==1 || CA1 == 1 && CF2 == 1 && CA3 ==1 ||CF1 == 1 && CF2 == 1 && CF3 ==1 ||CF1 == 1 && CF2 == 1 && CN3 ==1 ||CF1 == 1 && CF2 == 1 && CA3 ==1 ||CF1 == 1 && CN2 == 1 && CN3 ==1 ||CF1 == 1 && CN2 == 1 && CA3 ==1 ||CF1 == 1 && CN2 == 1 && CF3 ==1 ||CF1 == 1 && CA2 == 1 && CN3 ==1 ||CF1 == 1 && CA2 == 1 && CA3 ==1 ||CF1 == 1 && CA2 == 1 && CF3 ==1 

   failed{i,1}=test{1,1};
   failed{i,2}=[test{1,2}; test{2,2}; test{3,2}];
   failed{i,3}=[test{1,3}; test{2,3}; test{3,3}];

end

FinalcountFailed = countFailed/3; FinalcountNormal = countNormal/3; FinalcountAbnormal = countAbnormal/3;


end

toc;

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