基于ssa - 1dcnn -注意力法的药代动力学模型。

IF 0.9 4区 生物学 Q4 MATHEMATICAL & COMPUTATIONAL BIOLOGY Journal of Bioinformatics and Computational Biology Pub Date : 2023-02-01 DOI:10.1142/S021972002350004X
Zi-Yi He, Jie-Yu Yang, Yong Li
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引用次数: 0

摘要

为解决机器学习方法用于药代动力学指标分类预测时训练集缺乏代表性和训练样本数量有限导致预测精度不高的问题,本文提出了一种采用麻雀搜索算法(SSA)优化的1dcnn -注意力浓度预测模型。首先,采用SMOTE方法对小样本实验数据进行扩充,使数据具有多样性和代表性。然后建立一维卷积神经网络(1DCNN)模型,引入注意机制计算各变量的权重,将各药代动力学指标的重要性除以输出药物浓度。采用SSA算法对模型参数进行优化,提高数据扩展后的预测精度。以苯巴比妥(PHB)联合秦艽皂苷治疗癫痫的药代动力学模型为例,预测了PHB的浓度变化,验证了该方法的有效性。结果表明,该模型具有较好的预测效果。
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A pharmacokinetic model based on the SSA-1DCNN-Attention method.

To solve the problem of the lack of representativeness of the training set and the poor prediction accuracy due to the limited number of training samples when the machine learning method is used for the classification and prediction of pharmacokinetic indicators, this paper proposes a 1DCNN-Attention concentration prediction model optimized by the sparrow search algorithm (SSA). First, the SMOTE method is used to expand the small sample experimental data to make the data diverse and representative. Then a one-dimensional convolutional neural network (1DCNN) model is established, and the attention mechanism is introduced to calculate the weight of each variable for dividing the importance of each pharmacokinetic indicator by the output drug concentration. The SSA algorithm was used to optimize the parameters in the model to improve the prediction accuracy after data expansion. Taking the pharmacokinetic model of phenobarbital (PHB) combined with Cynanchum otophyllum saponins to treat epilepsy as an example, the concentration changes of PHB were predicted and the effectiveness of the method was verified. The results show that the proposed model has a better prediction effect than other methods.

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来源期刊
Journal of Bioinformatics and Computational Biology
Journal of Bioinformatics and Computational Biology MATHEMATICAL & COMPUTATIONAL BIOLOGY-
CiteScore
2.10
自引率
0.00%
发文量
57
期刊介绍: The Journal of Bioinformatics and Computational Biology aims to publish high quality, original research articles, expository tutorial papers and review papers as well as short, critical comments on technical issues associated with the analysis of cellular information. The research papers will be technical presentations of new assertions, discoveries and tools, intended for a narrower specialist community. The tutorials, reviews and critical commentary will be targeted at a broader readership of biologists who are interested in using computers but are not knowledgeable about scientific computing, and equally, computer scientists who have an interest in biology but are not familiar with current thrusts nor the language of biology. Such carefully chosen tutorials and articles should greatly accelerate the rate of entry of these new creative scientists into the field.
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