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用于预测药物相关副作用的机器学习技术:一项范围综述

Machine Learning Techniques for Predicting Drug-Related Side Effects: A Scoping Review.

作者信息

Toni Esmaeel, Ayatollahi Haleh, Abbaszadeh Reza, Fotuhi Siahpirani Alireza

机构信息

Medical Informatics, Student Research Committee, Iran University of Medical Sciences, Tehran, Iran 14496-14535.

Medical Informatics, Health Management and Economics Research Center, Health Management Research Institute, Iran University of Medical Sciences, Tehran, Iran 1996-713883.

出版信息

Pharmaceuticals (Basel). 2024 Jun 17;17(6):795. doi: 10.3390/ph17060795.

Abstract

BACKGROUND

Drug safety relies on advanced methods for timely and accurate prediction of side effects. To tackle this requirement, this scoping review examines machine-learning approaches for predicting drug-related side effects with a particular focus on chemical, biological, and phenotypical features.

METHODS

This was a scoping review in which a comprehensive search was conducted in various databases from 1 January 2013 to 31 December 2023.

RESULTS

The results showed the widespread use of Random Forest, k-nearest neighbor, and support vector machine algorithms. Ensemble methods, particularly random forest, emphasized the significance of integrating chemical and biological features in predicting drug-related side effects.

CONCLUSIONS

This review article emphasized the significance of considering a variety of features, datasets, and machine learning algorithms for predicting drug-related side effects. Ensemble methods and Random Forest showed the best performance and combining chemical and biological features improved prediction. The results suggested that machine learning techniques have some potential to improve drug development and trials. Future work should focus on specific feature types, selection techniques, and graph-based methods for even better prediction.

摘要

背景

药物安全性依赖于能够及时、准确预测副作用的先进方法。为满足这一需求,本综述探讨了用于预测药物相关副作用的机器学习方法,特别关注化学、生物学和表型特征。

方法

这是一项范围综述,于2013年1月1日至2023年12月31日在多个数据库中进行了全面检索。

结果

结果显示随机森林、k近邻和支持向量机算法被广泛使用。集成方法,特别是随机森林,强调了整合化学和生物学特征在预测药物相关副作用中的重要性。

结论

本文强调了考虑多种特征、数据集和机器学习算法以预测药物相关副作用的重要性。集成方法和随机森林表现出最佳性能,结合化学和生物学特征可改善预测效果。结果表明机器学习技术在改进药物开发和试验方面具有一定潜力。未来的工作应专注于特定的特征类型、选择技术和基于图的方法,以实现更好的预测。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/c0af/11206653/c6de508c6ba7/pharmaceuticals-17-00795-g001.jpg

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