基于计算智能和ML算法的药物再利用蛋白质结构分析

Deepak Srivastava, Kwok Tai Chui, Varsha Arya, F. G. Peñalvo, Pramod Kumar, Ashutosh Kumar Singh
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引用次数: 8

摘要

蛋白质是药物靶向适应症分析中生物过程中的基本化合物。鉴定相关特征是确定蛋白质结构的必要步骤。分类技术用于识别数据集中最重要的特征,这就是为什么特征选择如此重要的原因。对于蛋白质结构的预测,最近的研究开发了许多新的方法来提高准确性。作者使用主成分分析(PCA)与相关矩阵为基础的特征选择来分析乳腺癌数据。在本文中,他们讨论了一种治疗剂,该治疗剂通过基于约简的算法对数据集进行约简,然后将标记为标准金数据集的约简数据集应用于机器学习模型上以分析药物靶标指征。使用RBF核函数支持向量机对200、500和1000个特征的三个数据集分别获得了92.8%、93.9%和95.3%的较高准确率。他们还发现,使用相同的分类器,结果最好,为97.8%。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Analysis of Protein Structure for Drug Repurposing Using Computational Intelligence and ML Algorithm
Proteins are fundamental compounds in biological processes during the analysis of drug target indication for drug repurposing. The identification of relevant features is a necessary step in determining protein structure. A classification technique is used to identify the most important features in a dataset, which is why feature selection is so important. For protein structure prediction, recent research has developed a wide range of new methods to improve accuracy. The authors use principal component analysis (PCA) with correlation-matrix-based feature selection to analyse breast cancer data. In this paper, they discussed a therapeutic agent that is used to reduce the dataset by reduction-based algorithm and after that applied reduced dataset labelled as Standard Gold Dataset on machine learning model to analyze drug target indication. They get the higher accuracy of 92.8%, 93.9%, and 95.3%, each of the three datasets with 200, 500, and 1000 features with SVM with RBF kernel function. Also they found the best result, 97.8%, with the same classifier.
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