Noncompartmental Analysis for Pharmacokinetic Data
NonCompart-package.RdIt conducts a noncompartmental analysis(NCA) with industrial strength.
Details
The main functions are
tblNCA to perform NCA for many subjects.
sNCA to perform NCA for one subject.
Author
Kyun-Seop Bae <[email protected]>
References
Gabrielsson J, Weiner D. Pharmacokinetic and Pharmacodynamic Data Analysis - Concepts and Applications. 5th ed. 2016.
Shargel L, Yu A. Applied Biopharmaceutics and Pharmacokinetics. 7th ed. 2015.
Rowland M, Tozer TN. Clinical Pharmacokinetics and Pharmacodynamics - Concepts and Applications. 4th ed. 2011.
Gibaldi M, Perrier D. Pharmacokinetics. 2nd ed. revised and expanded. 1982.
Examples
# Theoph and Indometh data: dose in mg, conc in mg/L, time in h
tblNCA(Theoph, key="Subject", colTime="Time", colConc="conc", dose=320,
adm="Extravascular", doseUnit="mg", concUnit="mg/L")
#> Subject b0 CMAX CMAXD TMAX TLAG CLST CLSTP TLST LAMZHL
#> 1 1 2.368785 10.50 0.03281250 1.12 0 3.28 3.2801465 24.37 14.304378
#> 2 2 2.411237 8.33 0.02603125 1.92 0 0.90 0.8886398 24.30 6.659342
#> 3 3 2.529712 8.20 0.02562500 1.02 0 1.05 1.0550967 24.17 6.766087
#> 4 4 2.592755 8.60 0.02687500 1.07 0 1.15 1.1564216 24.65 6.981247
#> 5 5 2.551092 11.40 0.03562500 1.00 0 1.57 1.5556951 24.35 8.002264
#> 6 6 2.033404 6.44 0.02012500 1.15 0 0.92 0.9412712 23.85 7.894998
#> 7 7 2.288550 7.09 0.02215625 3.48 0 1.15 1.1607192 24.22 7.846668
#> 8 8 2.170403 7.56 0.02362500 2.02 0 1.25 1.2285268 24.12 8.510038
#> 9 9 2.124648 9.03 0.02821875 0.63 0 1.12 1.1164831 24.43 8.405999
#> 10 10 2.657705 10.21 0.03190625 3.55 0 2.42 2.4136923 23.70 9.246916
#> 11 11 2.147594 8.00 0.02500000 0.98 0 0.86 0.8598066 24.08 7.261237
#> 12 12 2.824493 9.75 0.03046875 3.52 0 1.17 1.1755390 24.15 6.286508
#> LAMZ LAMZLL LAMZUL LAMZNPT CORRXY R2 R2ADJ AUCLST
#> 1 0.04845700 9.05 24.37 3 -0.9999999 0.9999997 0.9999995 148.92305
#> 2 0.10408644 7.03 24.30 4 -0.9985967 0.9971954 0.9957931 91.52680
#> 3 0.10244431 9.00 24.17 3 -0.9996624 0.9993250 0.9986499 99.28650
#> 4 0.09928702 9.02 24.65 3 -0.9994619 0.9989241 0.9978483 106.79630
#> 5 0.08661888 7.02 24.35 4 -0.9993234 0.9986472 0.9979708 121.29440
#> 6 0.08779574 2.03 23.85 7 -0.9991203 0.9982413 0.9978896 73.77555
#> 7 0.08833650 6.98 24.22 4 -0.9993349 0.9986702 0.9980053 90.75340
#> 8 0.08145054 3.53 24.12 6 -0.9954961 0.9910124 0.9887655 88.55995
#> 9 0.08245863 8.80 24.43 3 -0.9997218 0.9994437 0.9988873 86.32615
#> 10 0.07495982 9.38 23.70 3 -0.9997543 0.9995087 0.9990174 138.36810
#> 11 0.09545856 9.03 24.08 3 -0.9999991 0.9999983 0.9999965 80.09360
#> 12 0.11025949 9.03 24.15 3 -0.9996984 0.9993968 0.9987936 119.97750
#> AUCALL AUCIFO AUCIFOD AUCIFP AUCIFPD AUCPEO AUCPEP
#> 1 148.92305 216.61193 0.6769123 216.61496 0.6769217 31.248917 31.249876
#> 2 91.52680 100.17346 0.3130421 100.06432 0.3127010 8.631687 8.532030
#> 3 99.28650 109.53597 0.3422999 109.58572 0.3424554 9.357173 9.398325
#> 4 106.79630 118.37888 0.3699340 118.44356 0.3701361 9.784331 9.833594
#> 5 121.29440 139.41978 0.4356868 139.25463 0.4351707 13.000579 12.897403
#> 6 73.77555 84.25442 0.2632951 84.49670 0.2640522 12.437174 12.688246
#> 7 90.75340 103.77180 0.3242869 103.89315 0.3246661 12.545221 12.647366
#> 8 88.55995 103.90669 0.3247084 103.64305 0.3238845 14.769730 14.552931
#> 9 86.32615 99.90872 0.3122147 99.86607 0.3120815 13.594978 13.558076
#> 10 138.36810 170.65206 0.5332877 170.56791 0.5330247 18.918002 18.878001
#> 11 80.09360 89.10274 0.2784461 89.10072 0.2784397 10.110962 10.108918
#> 12 119.97750 130.58883 0.4080901 130.63907 0.4082471 8.125757 8.161087
#> AUMCLST AUMCIFO AUMCIFP AUMCPEO AUMCPEP VZFO VZFP CLFO
#> 1 1459.0711 4505.5348 4505.6709 67.61603 67.61701 30.48675 30.48632 1.477296
#> 2 706.5866 999.7723 996.0716 29.32525 29.06267 30.69044 30.72392 3.194459
#> 3 803.1859 1150.9648 1152.6529 30.21629 30.31850 28.51710 28.50415 2.921415
#> 4 901.0842 1303.2524 1305.4981 30.85881 30.97775 27.22596 27.21110 2.703185
#> 5 1017.1143 1667.7216 1661.7937 39.01174 38.79419 26.49799 26.52942 2.295227
#> 6 609.1524 978.4285 986.9665 37.74176 38.28034 43.25973 43.13569 3.798020
#> 7 782.4199 1245.0984 1249.4111 37.16000 37.37691 34.90844 34.86767 3.083689
#> 8 739.5346 1298.1158 1288.5201 43.03015 42.60589 37.81051 37.90669 3.079686
#> 9 705.2296 1201.7715 1200.2124 41.31750 41.24126 38.84279 38.85938 3.202924
#> 10 1278.1800 2473.9934 2470.8765 48.33535 48.27018 25.01554 25.02788 1.875160
#> 11 617.2422 928.5600 928.4900 33.52694 33.52193 37.62219 37.62304 3.591360
#> 12 977.8807 1330.3840 1332.0528 26.49636 26.58844 22.22429 22.21575 2.450439
#> CLFP MRTEVLST MRTEVIFO MRTEVIFP
#> 1 1.477276 9.797483 20.800031 20.800368
#> 2 3.197943 7.719996 9.980411 9.954313
#> 3 2.920088 8.089578 10.507642 10.518276
#> 4 2.701709 8.437410 11.009163 11.022112
#> 5 2.297949 8.385501 11.961873 11.933490
#> 6 3.787130 8.256833 11.612785 11.680533
#> 7 3.080088 8.621383 11.998427 12.025924
#> 8 3.087520 8.350666 12.493092 12.432287
#> 9 3.204292 8.169363 12.028695 12.018220
#> 10 1.876086 9.237534 14.497296 14.486174
#> 11 3.591441 7.706511 10.421227 10.420679
#> 12 2.449497 8.150534 10.187579 10.196436
tblNCA(Indometh, key="Subject", colTime="time", colConc="conc", dose=25,
adm="Infusion", dur=0.5, doseUnit="mg", concUnit="mg/L", R2ADJ=0.9)
#> Subject b0 CMAX CMAXD TMAX TLAG CLST CLSTP TLST LAMZHL
#> 1 1 -1.7242106 1.50 0.0600 0.25 0 0.05 0.05024851 8 4.378127
#> 2 2 -0.1752869 2.03 0.0812 0.25 0 0.08 0.07475591 8 2.293063
#> 3 3 NA 2.72 0.1088 0.25 0 0.08 NA 8 NA
#> 4 4 NA 1.85 0.0740 0.25 0 0.07 NA 8 NA
#> 5 5 NA 2.05 0.0820 0.25 0 0.06 NA 8 NA
#> 6 6 NA 2.31 0.0924 0.25 0 0.09 NA 8 NA
#> LAMZ LAMZLL LAMZUL LAMZNPT CORRXY R2 R2ADJ AUCLST
#> 1 0.1583205 5.00 8 3 -0.9985323 0.9970667 0.9941335 1.74125
#> 2 0.3022800 0.75 8 9 -0.9734830 0.9476691 0.9401933 2.93250
#> 3 NA NA NA 0 NA NA NA 2.93375
#> 4 NA NA NA 0 NA NA NA 2.47750
#> 5 NA NA NA 0 NA NA NA 1.95375
#> 6 NA NA NA 0 NA NA NA 2.87250
#> AUCALL AUCIFO AUCIFOD AUCIFP AUCIFPD AUCPEO AUCPEP AUMCLST
#> 1 1.74125 2.057065 0.0822826 2.058635 0.08234539 15.352703 15.417244 3.271250
#> 2 2.93250 3.197155 0.1278862 3.179807 0.12719227 8.277836 7.777416 6.398750
#> 3 2.93375 NA NA NA NA NA NA 5.006250
#> 4 2.47750 NA NA NA NA NA NA 4.381875
#> 5 1.95375 NA NA NA NA NA NA 3.707500
#> 6 2.87250 NA NA NA NA NA NA 5.532500
#> AUMCIFO AUMCIFP AUMCPEO AUMCPEP VZO VZP CLO CLP
#> 1 7.792554 7.815026 58.02083 58.14153 76.76352 76.70499 12.153237 12.143971
#> 2 9.391522 9.195343 31.86674 30.41314 25.86824 26.00937 7.819451 7.862113
#> 3 NA NA NA NA NA NA NA NA
#> 4 NA NA NA NA NA NA NA NA
#> 5 NA NA NA NA NA NA NA NA
#> 6 NA NA NA NA NA NA NA NA
#> MRTIVLST MRTIVIFO MRTIVIFP VSSO VSSP
#> 1 1.628679 3.538190 3.546218 43.00047 43.06517
#> 2 1.932012 2.687462 2.641793 21.01448 20.77007
#> 3 1.456434 NA NA NA NA
#> 4 1.518668 NA NA NA NA
#> 5 1.647633 NA NA NA NA
#> 6 1.676023 NA NA NA NA
# For individual NCA
iAUC = data.frame(Name=c("AUC[0-12h]","AUC[0-24h]"), Start=c(0,0), End=c(12,24)) ; iAUC
#> Name Start End
#> 1 AUC[0-12h] 0 12
#> 2 AUC[0-24h] 0 24
x = Theoph[Theoph$Subject=="1","Time"]
y = Theoph[Theoph$Subject=="1","conc"]
sNCA(x, y, dose=320, doseUnit="mg", concUnit="mg/L", timeUnit="h", iAUC=iAUC)
#> b0 CMAX CMAXD TMAX TLAG CLST
#> 2.3687851 10.5000000 0.0328125 1.1200000 0.0000000 3.2800000
#> CLSTP TLST LAMZHL LAMZ LAMZLL LAMZUL
#> 3.2801465 24.3700000 14.3043776 0.0484570 9.0500000 24.3700000
#> LAMZNPT CORRXY R2 R2ADJ AUCLST AUCALL
#> 3.0000000 -0.9999999 0.9999997 0.9999995 148.9230500 148.9230500
#> AUCIFO AUCIFOD AUCIFP AUCIFPD AUCPEO AUCPEP
#> 216.6119330 0.6769123 216.6149558 0.6769217 31.2489169 31.2498763
#> AUMCLST AUMCIFO AUMCIFP AUMCPEO AUMCPEP VZFO
#> 1459.0711035 4505.5348194 4505.6708646 67.6160287 67.6170065 30.4867482
#> VZFP CLFO CLFP MRTEVLST MRTEVIFO MRTEVIFP
#> 30.4863228 1.4772963 1.4772757 9.7974834 20.8000305 20.8003683
#> AUC[0-12h] AUC[0-24h]
#> 91.7355220 147.6945866
#> attr(,"units")
#> [1] "" "mg/L" "mg/L/mg" "h" "h" "mg/L"
#> [7] "mg/L" "h" "h" "/h" "h" "h"
#> [13] "" "" "" "" "h*mg/L" "h*mg/L"
#> [19] "h*mg/L" "h*mg/L/mg" "h*mg/L" "h*mg/L/mg" "%" "%"
#> [25] "h2*mg/L" "h2*mg/L" "h2*mg/L" "%" "%" "L"
#> [31] "L" "L/h" "L/h" "h" "h" "h"
#> [37] "h*mg/L" "h*mg/L"
#> attr(,"UsedPoints")
#> [1] 9 10 11
sNCA(x, y, dose=320, concUnit="mg/L", iAUC=iAUC)
#> b0 CMAX CMAXD TMAX TLAG CLST
#> 2.3687851 10.5000000 0.0328125 1.1200000 0.0000000 3.2800000
#> CLSTP TLST LAMZHL LAMZ LAMZLL LAMZUL
#> 3.2801465 24.3700000 14.3043776 0.0484570 9.0500000 24.3700000
#> LAMZNPT CORRXY R2 R2ADJ AUCLST AUCALL
#> 3.0000000 -0.9999999 0.9999997 0.9999995 148.9230500 148.9230500
#> AUCIFO AUCIFOD AUCIFP AUCIFPD AUCPEO AUCPEP
#> 216.6119330 0.6769123 216.6149558 0.6769217 31.2489169 31.2498763
#> AUMCLST AUMCIFO AUMCIFP AUMCPEO AUMCPEP VZFO
#> 1459.0711035 4505.5348194 4505.6708646 67.6160287 67.6170065 30.4867482
#> VZFP CLFO CLFP MRTEVLST MRTEVIFO MRTEVIFP
#> 30.4863228 1.4772963 1.4772757 9.7974834 20.8000305 20.8003683
#> AUC[0-12h] AUC[0-24h]
#> 91.7355220 147.6945866
#> attr(,"units")
#> [1] "" "mg/L" "mg/L/mg" "h" "h" "mg/L"
#> [7] "mg/L" "h" "h" "/h" "h" "h"
#> [13] "" "" "" "" "h*mg/L" "h*mg/L"
#> [19] "h*mg/L" "h*mg/L/mg" "h*mg/L" "h*mg/L/mg" "%" "%"
#> [25] "h2*mg/L" "h2*mg/L" "h2*mg/L" "%" "%" "L"
#> [31] "L" "L/h" "L/h" "h" "h" "h"
#> [37] "h*mg/L" "h*mg/L"
#> attr(,"UsedPoints")
#> [1] 9 10 11