预测药物靶标相互作用的改进方法

Kanica Sachdev, M. Gupta
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引用次数: 1

摘要

药物蛋白关联的鉴定有助于新药的开发、药物再利用和药物副作用鉴定。对这些相互作用进行实验性评估需要大量的资金和资金。因此,正在开发计算机计算方法来帮助相互作用预测。这些技术大致分为基于相似性的方法和基于特征的方法。本文提出了一种新的基于特征的方法来识别可能的药物蛋白通信。该方法基于支持向量机分类器。支持向量机在与药理学领域相关的许多应用中显示出令人满意的性能。为了进一步提高精度和降低计算复杂度,提出了基于主成分分析的降维方法。该方法的AUC得分为0.822。该方法已根据各自的AUC分数与各种其他最先进的方法进行了比较。对比结果表明,该方法与其他方法相比具有更好的性能。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
An Improved Approach for Predicting Drug Target Interactions
The identification of drug protein associations assists the exploration of novel drugs, drug repurposing and drug side effect identification. The experimental evaluation of these interactions requires extensive capital and money. Thus, in-silico computational methods are being developed to aid the interaction prediction. These techniques have been broadly grouped into similarity based approaches and feature based approaches. This paper proposes a novel feature based approach to identify the probable drug protein communications. The method is based on Support Vector Machine classifier. Support Vector Machines have shown a satisfactory performance in many applications related to the pharmacology domain. To further improve the accuracy and reduce the computational complexity, dimensionality reduction by PCA has been proposed. The proposed technique achieves an AUC score of 0.822. The method has been compared to various other state of the art methods based on their respective AUC scores. The comparison has shown that the proposed approach has a better performance in contrast to the other techniques.
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