Zurich University of Applied Sciences Winterthur, Switzerland.
BioNanomaterials Group, Adolphe Merkle Institute, University of Fribourg, Fribourg, Switzerland.
Comput Math Methods Med. 2020 Jul 6;2020:5972594. doi: 10.1155/2020/5972594. eCollection 2020.
In this work, a method is established to calibrate a model that describes the basic dynamics of DNA damage and repair. The model can be used to extend planning for radiotherapy and hyperthermia in order to include the biological effects. In contrast to "syntactic" models (e.g., describing molecular kinetics), the model used here describes radiobiological semantics, resulting in a more powerful model but also in a far more challenging calibration. Model calibration is attempted from clonogenic assay data (doses of 0-6 Gy) and from time-resolved comet assay data obtained within 6 h after irradiation with 6 Gy. It is demonstrated that either of those two sources of information alone is insufficient for successful model calibration, and that both sources of information combined in a holistic approach are necessary to find viable model parameters. Approximate Bayesian computation (ABC) with simulated annealing is used for parameter search, revealing two aspects that are beneficial to resolving the calibration problem: (1) assessing posterior parameter distributions instead of point-estimates and (2) combining calibration runs from different assays by joining posterior distributions instead of running a single calibration run with a combined, computationally very expensive objective function.
在这项工作中,建立了一种方法来校准描述 DNA 损伤和修复基本动力学的模型。该模型可用于扩展放射治疗和热疗的计划,以包括生物学效应。与“句法”模型(例如,描述分子动力学)相反,这里使用的模型描述了放射生物学语义,从而产生了更强大的模型,但也带来了更具挑战性的校准。从集落形成测定(剂量为 0-6Gy)和照射 6Gy 后 6 小时内获得的时间分辨彗星测定数据尝试对模型进行校准。结果表明,仅使用这两种信息来源中的任何一种都不足以成功校准模型,并且需要将两种信息来源以整体方法相结合,才能找到可行的模型参数。使用模拟退火的近似贝叶斯计算(ABC)进行参数搜索,揭示了有助于解决校准问题的两个方面:(1)评估后验参数分布而不是点估计,(2)通过合并后验分布而不是运行具有组合的、计算成本非常高的目标函数的单个校准运行来组合来自不同测定的校准运行。