Table 1: The summary of the data set.

Input numberLabelsMin1st quantileMedianMean3rd quantileMax

(1)CYP1A2000695159011963910
(2)CYP2A6000000
(3)CYP2B60008615509129915
(4)CYP2C8000000
(5)CYP2C9000347459016469809
(6)CYP2C18000000
(7)CYP2C1900017940005511004
(8)CYP2D602522313994785066956763122185456
(9)CYP2E1000000
(10)CYP2J2000000
(11)CYP3A415526935716140845992998337661201678132307836
(12)CYP3A5000272853013728653
(13)CYP3A7000000
(14)Gut_CYP2C98210143010037.21610089.12210148.39110388.032
(15)Gut_CYP2C1900029907330
(16)Gut_CYP2D60484.7674.4818.4994.53156
(17)Gut_CYP2J2000000
(18)Gut_CYP3A41121435540559756291180376217447
(19)Gut_CYP3A5000807.2055106.1
(20)Sex_Code0110.771811
(21)Age19252828.393252
(22)Weight44.5269.4378.3179.0489.17127
(23)Height149.4168.6174.3173.6179.7200.5
(24)BSA1.4221.8021.9371.9292.0482.432
(25)Brain_Weight104012301354138815242057
(26)Kidney_Weight164.1269.1325329.1382.6752
(27)Liver_Weight105215441700174019382699
(28)BMI16.1322.8726.2226.1928.845.31
(29)Cardiac_Output249.7315.1339.4337.5357.2424.5
(30)Haematocrit32.1238.9941.7341.4643.6851.05
(31)HSA35.1142.8845.7445.7548.5758.08
(32)AGP0.39710.71370.80350.79820.88511.207
(33)Serum_Creatinine33.6462.0973.2672.6181.2122.95
(34)GFR70.97112.12129.74133.34153.5243.16
(35)Renal_Function0.590.921.0791.0891.2711.87
(36)Cardiomyocyte_area652.51384.31701.11824.42146.85353.7
(37)Cardiomyocyte_volume1852449456306217734620339
(38)Sarcoplasmic_reticulum_volume111.1269.6337.8373440.71220.3
(39)Capacitance17.3336.7745.1848.4657.02142.2
(40)String_length0.87721.18141.2931.28781.40641.8619
(41)K3.0534.0794.2684.2614.4515.363
(42)Na135.1139.6140.4140.3141.1143.3
(43)Ca22.0072.2372.3882.3942.5462.789
(44)IKr_inhibition0.00470.04840.11720.23780.38411
(45)IKs_inhibition00.00026840.00030.008
(46)INa_inhibition00.00030.00070.0014930.00160.0353
(47)ICa_inhibition00.00090.00220.017820.00610.5217
(48)Stimulation_Period432735825836.19251570

OutputdQTc−15.7071.7136.59110.57214.6978.142

Where CYP1A2, CYP2A6, CYP2B6, CYP2C8, CYP2C9, CYP2C18, CYP2C19, CYP2D6, CYP2E1, CYP2J2, CYP3A4, CYP3A5, CYP3A7, corresponding patients’ abundance of cytochromes in the liver [pmol/mg of protein]; Gut_CYP2C9, Gut_CYP2C19, Gut_CYP2D6, Gut_CYP2J2, Gut_CYP3A4, Gut_CYP3A5, corresponding patients’ abundance of cytochromes in the gut [nmol/small intestine]; Sex_Code, patients’ gender [male = 0/female = 1]; Age, patients’ age [years]; Weight, patients’ weight [kg]; Height, patients’ height [cm]; BSA, patients’ body surface area [m2]; Brain_Weight, patients’ brain weight [g]; Kidney_Weight, patients’ kidney weight [g]; Liver_Weight, patients’ liver weight [g]; BMI, patients’ body mass index; Cardiac_Output, patients’ cardiac output [L/h]; Haematocrit, patients’ specific haematocrit [%]; HSA, AGP, patients’ specific level of human serum albumin and alfa-acid glycoproteins in the plasma [g/L]; Serum_Creatinine, patients’ specific creatinine level [μmol/L]; GFR, the Glomerular Filtration Rates of the simulated individual (mL/min/1.73 m2); Renal_Function, the ratio of individual’s GFR to that of the normal value of 120 mL/min/1.73 m2 for male or 130 mL/min/1.73 m2 for female; Cardiomyocyte_area, patients’ specific area of the cardiac myocyte [μm2]; Cardiomyocyte_volume, patients’ specific volume of the cardiac myocyte [μm3]; Sarcoplasmic_reticulum_volume, patients’ specific volume of the cardiac myocyte sarcoplasmic reticulum [μm3]; Capacitance, patients’ specific cardiac myocyte electric capacitance [pF]; String_length, patients’ specific thickness of the left heart wall [cm]; K, Na, Ca2, patients’ specific concentration of ions in plasma [mM]; IKr_inhibition, IKs_inhibition, INa_inhibition, ICa_inhibition, patients’ and drugs’ specific ionic current inhibition; Stimulation_Period, time gaps between stimulaitons [ms]; dQTc, patients’ QTc interval modification as compared against baseline.