处理药代动力学建模中低于定量下限的删节数据的实用方法。

IF 3.1 3区 医学 Q2 PHARMACOLOGY & PHARMACY
Marie Wijk, Roeland E. Wasmann, Karen R. Jacobson, Elin M. Svensson, Paolo Denti
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引用次数: 0

摘要

正确处理低于定量下限(BLQ)的数据对于准确估计药代动力学参数至关重要。Beal提出的M3方法使用基于似然的方法,该方法是精确的,但据报道在收敛过程中存在数值问题。常见的替代方案包括忽略blq (M1)、输入量化下限的一半并忽略尾随blq (M6)或输入零(M7)。这些估算方法不能解释影响估算观测值的附加不确定性。我们使用NONMEM和fce - i /Laplace来比较M1、M3、M6、M7和修改版本M6+和M7+的稳定性、偏差和精度,这些方法增加了blq的附加残差。采用双室模型的真实和模拟数据集,通过具有扰动初始估计的并行重试来评估稳定性。比较所得目标函数值(OFV)的差异。利用随机模拟和估计对模拟数据进行偏差和精度评估。尽管参数估计值相似,但M3在重试时产生了不同的OFV(±14.7)。除M7(±130)外,其他方法均稳定。M3表现出最好的偏差和精度(平均rRMSE为18.7%),M6+和M7+表现相当(分别为26.0%和23.3%)。M3产生的不稳定的OFV在用于指导模型开发时是一个挑战。计算方法显示出优越的稳定性,包括膨胀的附加误差将偏差和精度提高到与M3相当的水平。由于这些原因,M7+(比M6+实现更简单)是M3的一个有吸引力的替代方案,特别是在模型开发期间。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A Pragmatic Approach to Handling Censored Data Below the Lower Limit of Quantification in Pharmacokinetic Modeling

Proper handling of data below the lower limit of quantification (BLQ) is crucial for accurate pharmacokinetic parameter estimation. The M3 method proposed by Beal uses a likelihood-based approach that is precise but has been reported to suffer from numerical issues in converging. Common alternatives include ignoring the BLQs (M1), imputing half of the lower limit of quantification and ignoring trailing BLQs (M6) or imputing zero (M7). The imputation methods fail to account for the additional uncertainty affecting imputed observations. We used NONMEM with FOCE-I/Laplace to compare the stability, bias, and precision of methods M1, M3, M6, M7, and modified versions M6+ and M7+ that inflate the additive residual error for BLQs. Real and simulated datasets with a two-compartment model were used to assess stability through parallel retries with perturbed initial estimates. The resulting differences in objective function values (OFV) were compared. Bias and precision were evaluated on simulated data using stochastic simulations and estimations. M3 yielded different OFV across retries (±14.7), though the parameter estimates were similar. All other methods, except M7 (±130), were stable. M3 demonstrated the best bias and precision (average rRMSE 18.7%), but M6+ and M7+ performed comparably (26.0% and 23.3%, respectively). The unstable OFV produced by M3 represents a challenge when used to guide model development. Imputation methods showed superior stability, and including inflated additive error improved bias and precision to levels comparable with M3. For these reasons, M7+ (of simpler implementation than M6+) is an attractive alternative to M3, especially during model development.

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来源期刊
CiteScore
5.00
自引率
11.40%
发文量
146
审稿时长
8 weeks
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