Numerical integration [Bioanalytics]

posted by Helmut Homepage – Vienna, Austria, 2007-08-12 20:51 (6095 d 06:55 ago) – Posting: # 978
Views: 11,453

Dear Dr. Shiv!

❝ I am really on a high on this subject. Thanks we are really discussing technical aspects of BE not just guidelines (ehich I am bored of)!!!.


Me too! :ok:

❝ NCA is useful tool for typical single dose studies…


Agree. If you are interested in a more thorough discussion:
Everybody should be aware that the linear trapezoidal rule is close to the worst numerical integration algorithm (just after the rectangular rule).
There are other algorithms available (log-trapezoidal, lin/log-trapezoidal, Lagrange, Splines, Simpson’s rule, Runge-Kutta). This was pointed out almost 30 years ago by Yeh and Kwan – without further notice by the scientific community.
At least modern software allows selection of the log-trapezoidal rule, or even better lin-up/log-down. Funny enough in all packages I know the linear trapezoidal rule is set as the default leaving the unwary investigator with a suboptimal method. :-D

  1. Yeh, KC and KC Kwan
    A Comparison of Numerical Integrating Algorithms by Trapezoidal, Lagrange, and Spline Approximation
    J Pharmacokin Biopharm 6(1), 79–98 (1978)
  2. RD Purves
    Optimum Numerical Integration Methods fo Estimation of Area-Under-the-Curve (AUC) and Area-under-the-Moment-Curve (AUMC)
    J Pharmacokin Biopharm 20(3), 211–26 (1992)

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