用于区分急性中毒的深度学习神经网络推导和测试。

IF 3.9 3区 医学 Q2 BIOCHEMISTRY & MOLECULAR BIOLOGY Expert Opinion on Drug Metabolism & Toxicology Pub Date : 2023-01-01 Epub Date: 2023-07-17 DOI:10.1080/17425255.2023.2232724
Omid Mehrpour, Christopher Hoyte, Abdullah Al Masud, Ashis Biswas, Jonathan Schimmel, Samaneh Nakhaee, Mohammad Sadegh Nasr, Heather Delva-Clark, Foster Goss
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引用次数: 0

摘要

引言:急性中毒是一个重大的全球健康负担,病原体往往不清楚。这项试点研究的主要目的是开发一种深度学习算法,从预先指定的药物列表中预测中毒患者接触到的最可能的药剂。研究设计和方法:从2014年至2018年,从国家毒物数据系统(NPDS)查询了8种单剂中毒(对乙酰氨基酚、苯海拉明、阿司匹林、钙通道阻滞剂、磺酰脲类、苯二氮卓类、安非他酮和锂)的数据。应用了两个为多类分类任务设计的深度神经网络(PyTorch和Keras)。结果:纳入分析的单剂中毒事件有201031起。在区分所选中毒方面,PyTorch模型的特异性为97%,准确率为83%,准确度为83%,召回率为83%和F1评分为82%。Keras的特异性为98%,准确率为83%,准确度为84%,回忆度为83%,F1评分为83%。在PyTorch中,在诊断锂、磺酰脲类药物、苯海拉明、钙通道阻滞剂、对乙酰氨基酚中毒时,单剂中毒的表现最好(F1分 = 分别为99%、94%、85%、83%和82%)和Keras(F1得分 = 分别为99%、94%、86%、82%和82%)。结论:深度神经网络可能有助于识别急性中毒的病原体。这项研究使用了一小部分药物,排除了多物质摄入。可复制源代码和结果可在https://github.com/ashiskb/npds-workspace.git.
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Deep learning neural network derivation and testing to distinguish acute poisonings.

Introduction: Acute poisoning is a significant global health burden, and the causative agent is often unclear. The primary aim of this pilot study was to develop a deep learning algorithm that predicts the most probable agent a poisoned patient was exposed to from a pre-specified list of drugs.

Research design & methods: Data were queried from the National Poison Data System (NPDS) from 2014 through 2018 for eight single-agent poisonings (acetaminophen, diphenhydramine, aspirin, calcium channel blockers, sulfonylureas, benzodiazepines, bupropion, and lithium). Two Deep Neural Networks (PyTorch and Keras) designed for multi-class classification tasks were applied.

Results: There were 201,031 single-agent poisonings included in the analysis. For distinguishing among selected poisonings, PyTorch model had specificity of 97%, accuracy of 83%, precision of 83%, recall of 83%, and a F1-score of 82%. Keras had specificity of 98%, accuracy of 83%, precision of 84%, recall of 83%, and a F1-score of 83%. The best performance was achieved in the diagnosis of single-agent poisoning in diagnosing poisoning by lithium, sulfonylureas, diphenhydramine, calcium channel blockers, then acetaminophen, in PyTorch (F1-score = 99%, 94%, 85%, 83%, and 82%, respectively) and Keras (F1-score = 99%, 94%, 86%, 82%, and 82%, respectively).

Conclusion: Deep neural networks can potentially help in distinguishing the causative agent of acute poisoning. This study used a small list of drugs, with polysubstance ingestions excluded.Reproducible source code and results can be obtained at https://github.com/ashiskb/npds-workspace.git.

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来源期刊
Expert Opinion on Drug Metabolism & Toxicology
Expert Opinion on Drug Metabolism & Toxicology 医学-生化与分子生物学
CiteScore
7.90
自引率
2.30%
发文量
62
审稿时长
4-8 weeks
期刊介绍: Expert Opinion on Drug Metabolism & Toxicology (ISSN 1742-5255 [print], 1744-7607 [electronic]) is a MEDLINE-indexed, peer-reviewed, international journal publishing review articles on all aspects of ADME-Tox. Each article is structured to incorporate the author’s own expert opinion on the scope for future development. The Editors welcome: Reviews covering metabolic, pharmacokinetic and toxicological issues relating to specific drugs, drug-drug interactions, drug classes or their use in specific populations; issues relating to enzymes involved in the metabolism, disposition and excretion of drugs; techniques involved in the study of drug metabolism and toxicology; novel technologies for obtaining ADME-Tox data. Drug Evaluations reviewing the clinical, toxicological and pharmacokinetic data on a particular drug. The audience consists of scientists and managers in the pharmaceutical industry, pharmacologists, clinical toxicologists and related professionals.
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