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gQSPSim: A SimBiology‐Based GUI for Standardized QSP Model Development and Application

机译:GQSPSIM:用于标准化QSP模型开发和应用的基于SimBiology GUI

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Quantitative systems pharmacology (QSP) models are often implemented using a wide variety of technical workflows and methodologies. To facilitate reproducibility, transparency, portability, and reuse for QSP models, we have developed gQSPSim, a graphical user interface–based MATLAB application that performs key steps in QSP model development and analyses. The capabilities of gQSPSim include (i) model calibration using global and local optimization methods, (ii) development of virtual subjects to explore variability and uncertainty in the represented biology, and (iii) simulations of virtual populations for different interventions. gQSPSim works with SimBiology‐built models using components such as species, doses, variants, and rules. All functionalities are equipped with an interactive visualization interface and the ability to generate presentation‐ready figures. In addition, standardized gQSPSim sessions can be shared and saved for future extension and reuse. In this work, we demonstrate gQSPSim’s capabilities with a standard target‐mediated drug disposition model and a published model of anti‐proprotein convertase subtilisin/kexin type 9 (PCSK9) treatment of hypercholesterolemia.
机译:定量系统药理学(QSP)模型通常使用各种技术工作流程和方法来实现。为了促进QSP模型的可重复性,透明度,可移植性和重用,我们开发了GQSPSIM,这是一个基于图形用户界面的MATLAB应用程序,该应用程序在QSP模型开发和分析中执行关键步骤。 GQSPSIM的功能包括(i)使用全局和局部优化方法的模型校准,(ii)虚拟主题的开发,以探讨所代表生物学的变异性和不确定性,(iii)模拟不同干预的虚拟群体模拟。 GQSPSIM使用诸如物种,剂量,变体和规则等组件的素质构建模型。所有功能都配备了交互式可视化界面和生成呈现准备数字的能力。此外,可以共享标准化的GQSPSIM会话,并保存以供将来的扩展和重用。在这项工作中,我们用标准的目标介导的药物处理模型和发表的抗proprotein转化酶枯草杆菌素/ kexin型9(PCSK9)治疗高胆固醇血症的出版模型。

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