Yu Z, Tse F L
Department of Drug Metabolism, Sandoz Research Institute, East Hanover, NJ 07936, USA.
Biopharm Drug Dispos. 1995 Jan;16(1):37-58. doi: 10.1002/bdd.2510160105.
Six numerical integration algorithms based on linear and log trapezoidal methods as well as four cubic-spline methods were proposed for estimation of area under the curve (AUC). These six different algorithms were implemented using IMSL/IDL command language and evaluated using data simulated under five different dosing conditions and two different sampling conditions. Comparisons between AUC estimations using these six different algorithms and the theoretical results were made in terms of both overall AUC values and the superimposability of the concentration-time profiles. In well designed studies with ample data points, the algorithm based on IMSL/IDL function CSSHAPE with concavity preservation gave the best performance. In contrast, when the frequency of blood collection was limited, the algorithm based on the log trapezoidal rule proved to be stable with reasonable accuracy, and is recommended as the practical method for numerical interpolation and integration in pharmacokinetic studies. Algorithms based on the combination of the log trapezoidal rule and cubic-spline methods using IMSL/IDL function CSSHAPE can be developed to enhance overall performance.
提出了六种基于线性和对数梯形法以及四种三次样条法的数值积分算法，用于估计曲线下面积（AUC）。这六种不同算法使用IMSL/IDL命令语言实现，并使用在五种不同给药条件和两种不同采样条件下模拟的数据进行评估。根据总体AUC值和浓度-时间曲线的叠加性，对使用这六种不同算法得到的AUC估计值与理论结果进行了比较。在设计良好且有足够数据点的研究中，基于具有凹度保持功能的IMSL/IDL函数CSSHAPE的算法表现最佳。相比之下，当采血频率有限时，基于对数梯形法则的算法被证明具有合理的准确性且稳定性良好，推荐作为药代动力学研究中数值插值和积分的实用方法。可以开发基于对数梯形法则与使用IMSL/IDL函数CSSHAPE的三次样条法相结合的算法，以提高整体性能。
