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基于模拟退火算法的适当集总法简化茶碱生理药动学模型

A Lumped and Simplified Physiological Pharmacokinetic Model of Theophylline Based on Simulated Annealing Algorithm

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【作者】 梁露花黄叶真普思静郑浩东刘欣然项荣武

【Author】 LIANG Luhua;HUANG Yezhen;PU Sijing;ZHENG Haodong;LIU Xinran;XIANG Rongwu;School of Medical Devices,Teaching and Research Section of Biomedical Informatics Shenyang Pharmaceutical University;Medical Big Data and Artificial Intelligence Engineering Technology Research Center of Liaoning;School of Pharmaceutical Engineering, Shenyang Pharmaceutical University;School of Pharmacy;Shenyang Pharmaceutical University;

【通讯作者】 项荣武;

【机构】 沈阳药科大学医疗器械学院生物医药信息教研室辽宁省医药大数据与人工智能工程技术研究中心沈阳药科大学制药工程学院沈阳药科大学药学院

【摘要】 目的 利用模拟退火算法的适当集总法对茶碱的全身生理药动学模型进行简化,并评估简化后模型的可行性。方法 利用已发表文献中茶碱的全身生理药动学模型,采用模拟退火适当集总算法搜索最优的集总矩阵,将茶碱的全身生理药动学模型进行集总简化,并将集总简化后的模型与原模型进行评估比较。结果 原模型13态集总为7态,经评估集总简化后的模型具有良好的准确性和适用性,相对差异的绝对值(ARD%)<0.002%,且原始模型与集总简化模型模拟浓度-时间分布图重合度较好,误差较小。结论 经模拟退火算法简化的茶碱生理药动学模型稳健,有效,该方法可以考虑用于其他药物的生理药动学模型的简化。

【Abstract】 Objective A simulated annealing algorithm appropriately assembled the systemic physiological pharmacokinetic model of theophylline to simplify the systemic physiological pharmacokinetic model, and the feasibility of the simplified model was evaluated. Methods Using the published systemic physiological pharmacokinetic model of theophylline, using the simulated annealing algorithm(SA) appropriate lumped algorithm to search for the optimal lumped matrix, the whole body physiological pharmacokinetic model of theophylline is lumped and simplified, and evaluate the lumped simplified model with the original model. Results The 13-state of the original model are lumped into seven states.After evaluation, the lumped and simplified model has well accuracy and applicability.The value of ARD% is less than 0.002%,and the concentration-time distribution diagram of the original model and the lumped-reduced model are good coincidences, with less error. Conclusion The simulated annealing(SA) lumped reduction of the physiological pharmacokinetic model of theophylline is robust and efficient, and this approach can be considered for the simplification of physiological pharmacokinetic models for other drugs.

【基金】 辽宁省教育厅科学研究面上项目(LJKZ0942);沈阳药科大学创新创业训练计划项目(s202110163015);沈阳药科大学中青年发展计划项目(ZQN202210)
  • 【文献出处】 医药导报 ,Herald of Medicine , 编辑部邮箱 ,2023年09期
  • 【分类号】R969.1
  • 【下载频次】69
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