Hi
I have a parent-and-triple metabolite model (4 DV compartments) and would like
to look at the diagnostics for each analyte in Xpose4. Is it possible through
coding in NONMEM to generate separate diagnostics for each analyte
automatically in Xpose4? For example, as it stands the CWRES vs TIME etc plots
are overlayed.
Below is some of my code.
$SUBROUTINES ADVAN5 TRANS1
$MODEL
NPAR=24 NCOMP=6
COMP=(COMP1,DEFOBS)
COMP=(COMP2)
COMP=(COMP3)
COMP=(COMP4)
COMP=(COMP5)
COMP=(COMP6)
$PK
;parent, 2cmpt
D1=THETA(1)
TVV1=THETA(2)*(WEIGHT/20)**THETA(15)*(AGE/5)**THETA(16)
V1=TVV1*EXP(ETA(1))
TVCL1=THETA(3)*(WEIGHT/20)**THETA(17)*(AGE/5)**THETA(18)
CL1=TVCL1*EXP(ETA(2))
V2=THETA(4)
Q1=THETA(5)
;metabolite 1, 2cmpt
TVCLM1=THETA(6)*(WEIGHT/20)**THETA(19)*(AGE/5)**THETA(20)
CLM1=TVCLM1*EXP(ETA(3))
TVVM1=THETA(7)*(WEIGHT/20)**THETA(21)*(AGE/5)**THETA(22)
VM1=TVVM1*EXP(ETA(4))
TVCLM2=THETA(8)*(WEIGHT/20)**THETA(23)*(AGE/5)**THETA(24)
CLM2=TVCLM2*EXP(ETA(5))
VM1P=THETA(9)
Q2=THETA(10)*EXP(ETA(6))
;metabolite 3,4, 1 cmpt
CLM3=THETA(11)
VM2=THETA(12)*WEIGHT/20
CLM4=THETA(13)
VM3=THETA(14)*WEIGHT/20
K12=Q1/V1
K21=Q1/V2
K13=CL1/V1
K34=Q2/VM1
K43=Q2/VM1P
K35=CLM1/VM1
K36=CLM2/VM1
K50=CLM3/VM2
K60=CLM4/VM3
S1=V1 ;modify as req'd for scale parameter &/or dose-obs unit differences
S3=VM1
S5=VM2
S6=VM3
$ERROR
DEL=0
IF (F.LE.0.0001) DEL=1
IPRED=F
W1= 1
W2= F
IRES= DV-IPRED
IWRES=IRES/(W1+W2)
P1=0
IF (CMT.EQ.1.OR.CMT.EQ.3) P1=1
P2=0
IF (CMT.EQ.5.OR.CMT.EQ.6) P2=1
Y1 = F + W1*ERR(1) + W2*ERR(2)
Y2 = F + W1*ERR(3) + W2*ERR(4)
Y=P1*Y1 + P2*Y2
$EST METHOD=1 INTERACTION PRINT=5 MAX=9999 NSIG=1 SIGL=3 MSFO=mod73a.MSF NOABORT
$THETA
..ETC
$OMEGA
..ETC
$SIGMA
..ETC
$COV UNCONDITIONAL PRINT=E
Thanks
Hussain Mulla
Dept of Pharmacy
University Hospitals of Leicester
UK
Diagnostics for multiple analytes in Xpose4
Dear Hussain,
I think you can get the individual diagnostic plots by setting some arguments
in Xpose4:
e.g.
basic.gof(xpose.data(run-number),by="CMT",layout=c(2,1))
basic.gof(xpose.data(run-number),subset="CMT==2",layout=c(2,1))
Best regards,
Xipei
--
Xipei Wang, Ph.D. student
Department of Pharmaceutics, School of Pharmaceutical Sciences,
Peking University Health Science Center, Beijing,
China
Email: [email protected]
At 2011-09-14 05:01:02，"hussain mulla" <[email protected]> wrote:
>Hi
>
>I have a parent-and-triple metabolite model (4 DV compartments) and would like
>to look at the diagnostics for each analyte in Xpose4. Is it possible through
>coding in NONMEM to generate separate diagnostics for each analyte
>automatically in Xpose4? For example, as it stands the CWRES vs TIME etc plots
>are overlayed.
>
>Below is some of my code.
>
>$SUBROUTINES ADVAN5 TRANS1
>$MODEL
> NPAR=24 NCOMP=6
> COMP=(COMP1,DEFOBS)
> COMP=(COMP2)
> COMP=(COMP3)
> COMP=(COMP4)
> COMP=(COMP5)
> COMP=(COMP6)
>
>$PK
>;parent, 2cmpt
> D1=THETA(1)
> TVV1=THETA(2)*(WEIGHT/20)**THETA(15)*(AGE/5)**THETA(16)
> V1=TVV1*EXP(ETA(1))
> TVCL1=THETA(3)*(WEIGHT/20)**THETA(17)*(AGE/5)**THETA(18)
> CL1=TVCL1*EXP(ETA(2))
> V2=THETA(4)
> Q1=THETA(5)
>
>;metabolite 1, 2cmpt
> TVCLM1=THETA(6)*(WEIGHT/20)**THETA(19)*(AGE/5)**THETA(20)
> CLM1=TVCLM1*EXP(ETA(3))
> TVVM1=THETA(7)*(WEIGHT/20)**THETA(21)*(AGE/5)**THETA(22)
> VM1=TVVM1*EXP(ETA(4))
> TVCLM2=THETA(8)*(WEIGHT/20)**THETA(23)*(AGE/5)**THETA(24)
> CLM2=TVCLM2*EXP(ETA(5))
> VM1P=THETA(9)
> Q2=THETA(10)*EXP(ETA(6))
>
>;metabolite 3,4, 1 cmpt
> CLM3=THETA(11)
> VM2=THETA(12)*WEIGHT/20
> CLM4=THETA(13)
> VM3=THETA(14)*WEIGHT/20
>
>K12=Q1/V1
>K21=Q1/V2
>K13=CL1/V1
>K34=Q2/VM1
>K43=Q2/VM1P
>K35=CLM1/VM1
>K36=CLM2/VM1
>K50=CLM3/VM2
>K60=CLM4/VM3
>
> S1=V1 ;modify as req'd for scale parameter &/or dose-obs unit differences
> S3=VM1
> S5=VM2
> S6=VM3
>
>$ERROR
> DEL=0
> IF (F.LE.0.0001) DEL=1
> IPRED=F
> W1= 1
> W2= F
> IRES= DV-IPRED
> IWRES=IRES/(W1+W2)
>
>P1=0
>IF (CMT.EQ.1.OR.CMT.EQ.3) P1=1
>P2=0
>IF (CMT.EQ.5.OR.CMT.EQ.6) P2=1
>
>Y1 = F + W1*ERR(1) + W2*ERR(2)
>Y2 = F + W1*ERR(3) + W2*ERR(4)
>
>Y=P1*Y1 + P2*Y2
>
>$EST METHOD=1 INTERACTION PRINT=5 MAX=9999 NSIG=1 SIGL=3 MSFO=mod73a.MSF
>NOABORT
>$THETA
>..ETC
>
>$OMEGA
>..ETC
>
>$SIGMA
>..ETC
>
>$COV UNCONDITIONAL PRINT=E
>
>Thanks
>
>Hussain Mulla
>Dept of Pharmacy
>University Hospitals of Leicester
>UK