College of Computer Science and Technology, Qingdao Institute of Software, China University of Petroleum, Qingdao 266580, China.
College of Mathematics and Systems Science, Shandong University of Science and Technology, Qingdao 266580, China.
Cells. 2023 Apr 10;12(8):1123. doi: 10.3390/cells12081123.
Exploring potential associations between small molecule drugs (SMs) and microRNAs (miRNAs) is significant for drug development and disease treatment. Since biological experiments are expensive and time-consuming, we propose a computational model based on accurate matrix completion for predicting potential SM-miRNA associations (AMCSMMA). Initially, a heterogeneous SM-miRNA network is constructed, and its adjacency matrix is taken as the target matrix. An optimization framework is then proposed to recover the target matrix with the missing values by minimizing its truncated nuclear norm, an accurate, robust, and efficient approximation to the rank function. Finally, we design an effective two-step iterative algorithm to solve the optimization problem and obtain the prediction scores. After determining the optimal parameters, we conduct four kinds of cross-validation experiments based on two datasets, and the results demonstrate that AMCSMMA is superior to the state-of-the-art methods. In addition, we implement another validation experiment, in which more evaluation metrics in addition to the AUC are introduced and finally achieve great results. In two types of case studies, a large number of SM-miRNA pairs with high predictive scores are confirmed by the published experimental literature. In summary, AMCSMMA has superior performance in predicting potential SM-miRNA associations, which can provide guidance for biological experiments and accelerate the discovery of new SM-miRNA associations.
探索小分子药物 (SMs) 和 microRNAs (miRNAs) 之间的潜在关联对于药物开发和疾病治疗具有重要意义。由于生物实验昂贵且耗时,我们提出了一种基于精确矩阵补全的计算模型,用于预测潜在的 SM-miRNA 关联 (AMCSMMA)。首先,构建一个异质的 SM-miRNA 网络,并将其邻接矩阵作为目标矩阵。然后提出一个优化框架,通过最小化截断核范数来恢复具有缺失值的目标矩阵,这是秩函数的一种精确、鲁棒且高效的逼近。最后,我们设计了一种有效的两步迭代算法来求解优化问题并获得预测分数。在确定最优参数后,我们基于两个数据集进行了四种类型的交叉验证实验,结果表明 AMCSMMA 优于最先进的方法。此外,我们还进行了另一个验证实验,引入了除 AUC 之外的更多评估指标,最终取得了很好的结果。在两种类型的案例研究中,通过已发表的实验文献证实了大量具有高预测分数的 SM-miRNA 对。总之,AMCSMMA 在预测潜在 SM-miRNA 关联方面具有优越的性能,可为生物实验提供指导,加速新的 SM-miRNA 关联的发现。