机器学习在农药危害和风险评估中的应用及进展。

IF 1.9 4区 医学 Q3 CHEMISTRY, MEDICINAL Medicinal Chemistry Pub Date : 2024-01-01 DOI:10.2174/1573406419666230406091759
Yunfeng Yang, Junjie Zhong, Songyu Shen, Jiajun Huang, Yihan Hong, Xiaosheng Qu, Qin Chen, Bing Niu
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引用次数: 0

摘要

长期接触杀虫剂与癌症的发病率有关。随着新农药合成数量的指数级增长,通过模拟计算来评估农药的毒性变得越来越重要。基于现有数据,机器学习方法可以对现有数据有限的新型农药的影响预测进行训练和建模。与其他技术相结合,可以帮助合成具有特定活性结构的新型农药、检测农药残留并确定其可容忍暴露水平。本文主要讨论机器学习中的支持向量机、线性判别分析、决策树、偏最小二乘法和基于前馈神经网络的算法。希望本文能让科学家和用户更好地了解机器学习及其在农药毒性评估中的应用前景。
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Application and Progress of Machine Learning in Pesticide Hazard and Risk Assessment.

Long-term exposure to pesticides is associated with the incidence of cancer. With the exponential increase in the number of new pesticides being synthesized, it becomes more and more important to evaluate the toxicity of pesticides by means of simulated calculations. Based on existing data, machine learning methods can train and model the predictions of the effects of novel pesticides, which have limited available data. Combined with other technologies, this can aid the synthesis of new pesticides with specific active structures, detect pesticide residues, and identify their tolerable exposure levels. This article mainly discusses support vector machines, linear discriminant analysis, decision trees, partial least squares, and algorithms based on feedforward neural networks in machine learning. It is envisaged that this article will provide scientists and users with a better understanding of machine learning and its application prospects in pesticide toxicity assessment.

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来源期刊
Medicinal Chemistry
Medicinal Chemistry 医学-医药化学
CiteScore
4.30
自引率
4.30%
发文量
109
审稿时长
12 months
期刊介绍: Aims & Scope Medicinal Chemistry a peer-reviewed journal, aims to cover all the latest outstanding developments in medicinal chemistry and rational drug design. The journal publishes original research, mini-review articles and guest edited thematic issues covering recent research and developments in the field. Articles are published rapidly by taking full advantage of Internet technology for both the submission and peer review of manuscripts. Medicinal Chemistry is an essential journal for all involved in drug design and discovery.
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