基于加权轮廓和协同矩阵分解的微生物-药物关联鉴定

Q4 Biochemistry, Genetics and Molecular Biology American Journal of Biochemistry and Biotechnology Pub Date : 2021-04-01 DOI:10.3844/ajbbsp.2021.502.508
Zhu Ling-zhi, Guixiang Li, Chunhua Li, Jun Wang
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引用次数: 0

摘要

通讯作者:肖颖湖南化工职业技术学院,株洲Email: lingzhi0825@yeah.net摘要:以往的研究表明,疾病与微生物有关。为了探索对这些疾病更有效的治疗方法,必须确定未知的微生物-药物关联。然而,现有的识别微生物-药物关联的模型是有限的。在我们的文章中,提出了一种基于加权剖面和协同矩阵分解的预测模型(WPCMF)来识别微生物与药物的关联。在WPCMF中,高斯相互作用谱(GIP)可以分别用于计算微生物和药物的相似度。然后利用药物的正则smile来计算药物的化学结构相似度。两个药物相似度被融合成一个集成的药物相似度矩阵。加权剖面和协同矩阵分解用于预测潜在的微生物-药物关联。实验结果表明,WPCMF在5倍交叉验证(5 CV)、10倍交叉验证(10 CV)和LOOCV上的平均曲线下面积(AUC)分别为0.9096±0.0028、0.9195±0.0019和0.9236,始终优于其他相关方法(KATZHMDA、WP、CMF和Kron RLS)。我们认为WPCMF是生物医学研究领域的理想补充。
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Identification of Microbe-Drug Association based on Weighted Profile and Collaborative Matrix Factorization
Corresponding Author: Ying Xiao Hunan Chemical Vocational Technology College, Zhuhou, China Email: lingzhi0825@yeah.net Abstract: Previous studies have shown that diseases are associated with microbe. To explore a more effective treatment for these diseases, unknown microbe-drug associations must be identified. However, existing models to identify microbe-drug association are limited. In our article, a predictive model (WPCMF) is presented for identifying microbe-drug associations based on weighted profile and collaborative matrix factorization. In WPCMF, the Gaussian Interaction Profile (GIP) can be used for computing the similarities of microbe and the drug, respectively. Then we use the Canonical SMILES of drugs to compute the chemical structures similarity of drugs. Two drug similarities are fused into an integrated drug similarity matrix. Weighted profile and collaborative matrix factorization are applied for predicting potential microbe-drug associations. Experimental results show that WPCMF achieves the average Area Under the Curve (AUC) values of 0.9096±0.0028, 0.9195±0.0019 and 0.9236 in 5-fold Cross-Validation (5 CV), 10-fold Cross-Validation (10 CV) and Leave-One-Out-Cross-Validation (LOOCV), respectively, which consistently outperforms other related methods (KATZHMDA, WP, CMF and Kron RLS). We think WPCMF is ideal as a supplement in the field of biomedical research.
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来源期刊
American Journal of Biochemistry and Biotechnology
American Journal of Biochemistry and Biotechnology Biochemistry, Genetics and Molecular Biology-Biotechnology
CiteScore
0.70
自引率
0.00%
发文量
27
期刊介绍: :: General biochemistry :: Patho-biochemistry :: Evolutionary biotechnology :: Structural biology :: Molecular and cellular biology :: Molecular medicine :: Cancer research :: Virology :: Immunology :: Plant molecular biology and biochemistry :: Experimental methodologies
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