School of Informatics, Xiamen University, Xiamen 361005, China.
Department of Biotechnology, Beijing Institute of Radiation Medicine, Beijing 100850, China.
Biomed Res Int. 2021 Feb 10;2021:6690154. doi: 10.1155/2021/6690154. eCollection 2021.
The prediction of drug-target interaction (DTI) is a key step in drug repositioning. In recent years, many studies have tried to use matrix factorization to predict DTI, but they only use known DTIs and ignore the features of drug and target expression profiles, resulting in limited prediction performance. In this study, we propose a new DTI prediction model named AdvB-DTI. Within this model, the features of drug and target expression profiles are associated with Adversarial Bayesian Personalized Ranking through matrix factorization. Firstly, according to the known drug-target relationships, a set of ternary partial order relationships is generated. Next, these partial order relationships are used to train the latent factor matrix of drugs and targets using the Adversarial Bayesian Personalized Ranking method, and the matrix factorization is improved by the features of drug and target expression profiles. Finally, the scores of drug-target pairs are achieved by the inner product of latent factors, and the DTI prediction is performed based on the score ranking. The proposed model effectively takes advantage of the idea of learning to rank to overcome the problem of data sparsity, and perturbation factors are introduced to make the model more robust. Experimental results show that our model could achieve a better DTI prediction performance.
药物-靶点相互作用(DTI)的预测是药物重定位的关键步骤。近年来,许多研究试图使用矩阵分解来预测 DTI,但它们仅使用已知的 DTI 并忽略了药物和靶点表达谱的特征,导致预测性能有限。在本研究中,我们提出了一种名为 AdvB-DTI 的新 DTI 预测模型。在该模型中,药物和靶点表达谱的特征通过矩阵分解与对抗贝叶斯个性化排序相关联。首先,根据已知的药物-靶点关系,生成一组三元偏序关系。接下来,使用对抗贝叶斯个性化排序方法,根据这些偏序关系来训练药物和靶点的潜在因子矩阵,并通过药物和靶点表达谱的特征改进矩阵分解。最后,通过潜在因子的内积获得药物-靶点对的得分,并根据得分排名进行 DTI 预测。所提出的模型有效地利用了学习排序的思想来克服数据稀疏的问题,并引入了扰动因素使模型更加稳健。实验结果表明,我们的模型可以实现更好的 DTI 预测性能。