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DLS: A Link Prediction Method Based on Network Local Structure for Predicting Drug-Protein Interactions

机译:DLS:基于网络局部结构的链路预测方法,用于预测药物 - 蛋​​白质相互作用

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The studies on drug-protein interactions (DPIs) had significant for drug repositioning, drug discovery, and clinical medicine. The biochemical experimentation (in vitro) requires a long time and high cost to be confirmed because it is difficult to estimate. Therefore, a feasible solution is to predict DPIs efficiently with computers. We propose a link prediction method based on drug-protein interaction (DPI) local structural similarity (DLS) for predicting the DPIs. The DLS method combines link prediction and binary network structure to predict DPIs. The ten-fold cross-validation method was applied in the experiment. After comparing the predictive capability of DLS with the improved similarity-based network prediction method, the results of DLS on the test set are significantly better. Moreover, several candidate proteins were predicted for three approved drugs, namely captopril, desferrioxamine and losartan, and these predictions are further validated by the literature. In addition, the combination of the Common Neighborhood (CN) method and the DLS method provides a new idea for the integrated application of the link prediction method.
机译:药物 - 蛋​​白质相互作用(DPI)的研究对于药物重新定位,药物发现和临床医学具有重要意义。生物化学实验(体外)需要长时间和高成本的成本,因为难以估计。因此,可行解决方案是用计算机有效地预测DPI。我们提出了一种基于药物 - 蛋​​白质相互作用(DPI)局部结构相似性(DLS)的链路预测方法来预测DPI。 DLS方法组合链路预测和二进制网络结构来预测DPI。在实验中应用了十倍的交叉验证方法。在比较DLS与改进的基于相似性的网络预测方法的预测能力之后,测试集上DLS的结果明显更好。此外,预测了几种候选蛋白质的三种经批准的药物,即卡托普利,脱硫和氯沙坦,这些预测得到了文献进一步验证。另外,公共邻域(CN)方法和DLS方法的组合为链路预测方法的集成应用提供了新的思路。

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