基于药物化学子结构的多药物副作用预测的深度学习框架

Muhammad Asad Arshed, Shahzad Mumtaz, O. Riaz, Waqas Sharif, Saima Abdullah
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引用次数: 1

摘要

目前,药物的副作用和不良反应被认为是公共卫生的主要问题。在药物开发过程中,它也被认为是导致药物失败的主要原因。由于严重的副作用,药物立即从市场上撤出。因此,在药物发现过程中,对副作用的预测是控制药物开发成本和时间,以及从患者健康恢复角度将有效药物推向市场的基本需要。在本研究中,我们提出了一种名为“DLMSE”的深度学习模型,用于根据药物的化学结构预测药物的多重副作用。由于单一药物可能导致多种副作用是一种常见的经验,这就是为什么我们提出了一个深度学习模型,可以预测单一药物的多种副作用。在本研究中,我们考虑了三种副作用(头晕、过敏、头痛)。我们从SIDER数据库中收集了药物副作用信息。我们使用基于多标签分类的模型实现了0.9494的准确率。所提出的模型可用于药物开发过程的不同阶段。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
A Deep Learning Framework for Multi Drug Side Effects Prediction with Drug Chemical Substructure
Nowadays, side effects and adverse reactions of drugs are considered the major concern regarding public health. In the process of drug development, it is also considered the main cause of drug failure. Due to the major side effects, drugs are withdrawan from the market immediately. Therefore, in the drug discovery process, the prediction of side effects is a basic need to control the drug development cost and time as well as launching of an effective drug in the market in terms of patient health recovery. In this study, we have proposed a deep learning model named “DLMSE” for the prediction of multiple side effects of drugs with the chemical structure of drugs. As it is a common experience that a single drug can cause multiple side effects, that’s why we have proposed a deep learning model that can predict multiple side effects for a single drug. We have considered three side effects (Dizziness, Allergy, Headache) in this study. We have collected the drug side effects information from the SIDER database. We have achieved an accuracy of ‘0.9494’ with our multi-label classification based proposed model. The proposed model can be used in different stages of the drug development process.
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