基于支持向量机的药物靶标相互作用预测

Baraa Taha Yaseen
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摘要

支持向量机(SVM)是一种基于机器学习的分类器。机器学习的训练和评估是使用来自药品银行的数据进行的。缺乏负DTI进行训练是使用机器学习实现这一目的的最大障碍。尽管计算能力存在巨大差异,但支持向量机(SVM)的ROC曲线下面积(AUC)为0.753 0.006,优于最先进的基于网络的方法的0.886 0.010。经过广泛的测试,我们确定SVM提供了最高水平的准确率,为93.76%。这是出乎意料的,可能表明以前未知的DDI品种的存在或研究DDI的科学方法的成熟。它可以用来表征几种直到先进的处理方法或仪器(如高通量筛选)开发出来才被发现的DDI类型。
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Drug Target Interaction Prediction Using Support Vector Machine (SVM)
Support vector machine (SVM), a classifier based on machine learning, has also been utilized. The training and evaluation of machine learning was conducted using data from a drug bank. The absence of negative DTI to train on is the greatest obstacle in using machine learning for this purpose. Despite the vast disparity in computing power, the support vector machine (SVM) obtained a superior area under the ROC curve (AUC) of 0.753 0.006 to the most advanced network-based method's 0.886 0.010. After extensive testing, we determined that SVM provided the maximum level of accuracy, 93.76 percent. This was unexpected and may indicate the existence of previously unknown DDI varieties or the maturation of scientific methodologies for studying DDIs. It could be used to characterize several DDI types that were not discovered until advanced processing methods or instruments, such as high-throughput screening, were developed.
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