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  • Oxford University Press (OUP)  (5)
  • Li, Yaohang  (5)
  • 2020-2024  (5)
  • 2021  (5)
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Publisher
  • Oxford University Press (OUP)  (5)
Language
Years
  • 2020-2024  (5)
Year
  • 2021  (5)
  • 1
    Online Resource
    Online Resource
    Oxford University Press (OUP) ; 2021
    In:  Briefings in Bioinformatics Vol. 22, No. 2 ( 2021-03-22), p. 1604-1619
    In: Briefings in Bioinformatics, Oxford University Press (OUP), Vol. 22, No. 2 ( 2021-03-22), p. 1604-1619
    Abstract: Drug repositioning can drastically decrease the cost and duration taken by traditional drug research and development while avoiding the occurrence of unforeseen adverse events. With the rapid advancement of high-throughput technologies and the explosion of various biological data and medical data, computational drug repositioning methods have been appealing and powerful techniques to systematically identify potential drug-target interactions and drug-disease interactions. In this review, we first summarize the available biomedical data and public databases related to drugs, diseases and targets. Then, we discuss existing drug repositioning approaches and group them based on their underlying computational models consisting of classical machine learning, network propagation, matrix factorization and completion, and deep learning based models. We also comprehensively analyze common standard data sets and evaluation metrics used in drug repositioning, and give a brief comparison of various prediction methods on the gold standard data sets. Finally, we conclude our review with a brief discussion on challenges in computational drug repositioning, which includes the problem of reducing the noise and incompleteness of biomedical data, the ensemble of various computation drug repositioning methods, the importance of designing reliable negative samples selection methods, new techniques dealing with the data sparseness problem, the construction of large-scale and comprehensive benchmark data sets and the analysis and explanation of the underlying mechanisms of predicted interactions.
    Type of Medium: Online Resource
    ISSN: 1467-5463 , 1477-4054
    Language: English
    Publisher: Oxford University Press (OUP)
    Publication Date: 2021
    detail.hit.zdb_id: 2036055-1
    SSG: 12
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  • 2
    Online Resource
    Online Resource
    Oxford University Press (OUP) ; 2021
    In:  Briefings in Bioinformatics Vol. 22, No. 4 ( 2021-07-20)
    In: Briefings in Bioinformatics, Oxford University Press (OUP), Vol. 22, No. 4 ( 2021-07-20)
    Abstract: With the development of high-throughput technology and the accumulation of biomedical data, the prior information of biological entity can be calculated from different aspects. Specifically, drug–drug similarities can be measured from target profiles, drug–drug interaction and side effects. Similarly, different methods and data sources to calculate disease ontology can result in multiple measures of pairwise disease similarities. Therefore, in computational drug repositioning, developing a dynamic method to optimize the fusion process of multiple similarities is a crucial and challenging task. In this study, we propose a multi-similarities bilinear matrix factorization (MSBMF) method to predict promising drug-associated indications for existing and novel drugs. Instead of fusing multiple similarities into a single similarity matrix, we concatenate these similarity matrices of drug and disease, respectively. Applying matrix factorization methods, we decompose the drug–disease association matrix into a drug-feature matrix and a disease-feature matrix. At the same time, using these feature matrices as basis, we extract effective latent features representing the drug and disease similarity matrices to infer missing drug–disease associations. Moreover, these two factored matrices are constrained by non-negative factorization to ensure that the completed drug–disease association matrix is biologically interpretable. In addition, we numerically solve the MSBMF model by an efficient alternating direction method of multipliers algorithm. The computational experiment results show that MSBMF obtains higher prediction accuracy than the state-of-the-art drug repositioning methods in cross-validation experiments. Case studies also demonstrate the effectiveness of our proposed method in practical applications. Availability: The data and code of MSBMF are freely available at https://github.com/BioinformaticsCSU/MSBMF. Corresponding author: Jianxin Wang, School of Computer Science and Engineering, Central South University, Changsha, Hunan 410083, P. R. China. E-mail: jxwang@mail.csu.edu.cn Supplementary Data: Supplementary data are available online at https://academic.oup.com/bib.
    Type of Medium: Online Resource
    ISSN: 1467-5463 , 1477-4054
    Language: English
    Publisher: Oxford University Press (OUP)
    Publication Date: 2021
    detail.hit.zdb_id: 2036055-1
    SSG: 12
    Location Call Number Limitation Availability
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  • 3
    Online Resource
    Online Resource
    Oxford University Press (OUP) ; 2021
    In:  Briefings in Bioinformatics Vol. 22, No. 6 ( 2021-11-05)
    In: Briefings in Bioinformatics, Oxford University Press (OUP), Vol. 22, No. 6 ( 2021-11-05)
    Abstract: Identifying the frequencies of the drug–side effects is a very important issue in pharmacological studies and drug risk–benefit. However, designing clinical trials to determine the frequencies is usually time consuming and expensive, and most existing methods can only predict the drug–side effect existence or associations, not their frequencies. Inspired by the recent progress of graph neural networks in the recommended system, we develop a novel prediction model for drug–side effect frequencies, using a graph attention network to integrate three different types of features, including the similarity information, known drug–side effect frequency information and word embeddings. In comparison, the few available studies focusing on frequency prediction use only the known drug–side effect frequency scores. One novel approach used in this work first decomposes the feature types in drug–side effect graph to extract different view representation vectors based on three different type features, and then recombines these latent view vectors automatically to obtain unified embeddings for prediction. The proposed method demonstrates high effectiveness in 10-fold cross-validation. The computational results show that the proposed method achieves the best performance in the benchmark dataset, outperforming the state-of-the-art matrix decomposition model. In addition, some ablation experiments and visual analyses are also supplied to illustrate the usefulness of our method for the prediction of the drug–side effect frequencies. The codes of MGPred are available at https://github.com/zhc940702/MGPred and https://zenodo.org/record/4449613.
    Type of Medium: Online Resource
    ISSN: 1467-5463 , 1477-4054
    Language: English
    Publisher: Oxford University Press (OUP)
    Publication Date: 2021
    detail.hit.zdb_id: 2036055-1
    SSG: 12
    Location Call Number Limitation Availability
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  • 4
    Online Resource
    Online Resource
    Oxford University Press (OUP) ; 2021
    In:  Briefings in Bioinformatics Vol. 22, No. 5 ( 2021-09-02)
    In: Briefings in Bioinformatics, Oxford University Press (OUP), Vol. 22, No. 5 ( 2021-09-02)
    Abstract: The rapid increase of genome data brought by gene sequencing technologies poses a massive challenge to data processing. To solve the problems caused by enormous data and complex computing requirements, researchers have proposed many methods and tools which can be divided into three types: big data storage, efficient algorithm design and parallel computing. The purpose of this review is to investigate popular parallel programming technologies for genome sequence processing. Three common parallel computing models are introduced according to their hardware architectures, and each of which is classified into two or three types and is further analyzed with their features. Then, the parallel computing for genome sequence processing is discussed with four common applications: genome sequence alignment, single nucleotide polymorphism calling, genome sequence preprocessing, and pattern detection and searching. For each kind of application, its background is firstly introduced, and then a list of tools or algorithms are summarized in the aspects of principle, hardware platform and computing efficiency. The programming model of each hardware and application provides a reference for researchers to choose high-performance computing tools. Finally, we discuss the limitations and future trends of parallel computing technologies.
    Type of Medium: Online Resource
    ISSN: 1467-5463 , 1477-4054
    Language: English
    Publisher: Oxford University Press (OUP)
    Publication Date: 2021
    detail.hit.zdb_id: 2036055-1
    SSG: 12
    Location Call Number Limitation Availability
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  • 5
    Online Resource
    Online Resource
    Oxford University Press (OUP) ; 2021
    In:  Bioinformatics Vol. 37, No. 18 ( 2021-09-29), p. 2841-2847
    In: Bioinformatics, Oxford University Press (OUP), Vol. 37, No. 18 ( 2021-09-29), p. 2841-2847
    Abstract: The Anatomical Therapeutic Chemical (ATC) system is an official classification system established by the World Health Organization for medicines. Correctly assigning ATC classes to given compounds is an important research problem in drug discovery, which can not only discover the possible active ingredients of the compounds, but also infer theirs therapeutic, pharmacological and chemical properties. Results In this article, we develop an end-to-end multi-label classifier called CGATCPred to predict 14 main ATC classes for given compounds. In order to extract rich features of each compound, we use the deep Convolutional Neural Network and shortcut connections to represent and learn the seven association scores between the given compound and others. Moreover, we construct the correlation graph of ATC classes and then apply graph convolutional network on the graph for label embedding abstraction. We use all label embedding to guide the learning process of compound representation. As a result, by using the Jackknife test, CGATCPred obtain reliable Aiming of 81.94%, Coverage of 82.88%, Accuracy 80.81%, Absolute True 76.58% and Absolute False 2.75%, yielding significantly improvements compared to exiting multi-label classifiers. Availability and implementation The codes of CGATCPred are available at https://github.com/zhc940702/CGATCPred and https://zenodo.org/record/4552917.
    Type of Medium: Online Resource
    ISSN: 1367-4803 , 1367-4811
    Language: English
    Publisher: Oxford University Press (OUP)
    Publication Date: 2021
    detail.hit.zdb_id: 1468345-3
    SSG: 12
    Location Call Number Limitation Availability
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