Hi Andrew,
You could use the following:
Cmax: max(Central.Drug_Central)
Tmax: time(Central.Drug_Central == max(Central.Drug_Central))
Tend: time(end)
AUC0-last: trapz(time,Central.Drug_Central)
Other quantities (half-life, C0, AUC0-inf, CL etc) require extrapolation and regressions, which is what sbionca takes care of for you. More definitions of the NCA parameters are here.
You could also turn your simulation results into a table and pass that onto sbionca. This is somewhat easier said then done. I have some code that you download here, see the function 'CreateTableSimdata' in the NCA folder of the download.
Let me know if you have further questions.
Best,
Sietse
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