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  1. Article ; Online: Link Prediction with Continuous-Time Classical and Quantum Walks.

    Goldsmith, Mark / Saarinen, Harto / García-Pérez, Guillermo / Malmi, Joonas / Rossi, Matteo A C / Maniscalco, Sabrina

    Entropy (Basel, Switzerland)

    2023  Volume 25, Issue 5

    Abstract: Protein-protein interaction (PPI) networks consist of the physical and/or functional interactions between the proteins of an organism, and they form the basis for the field of network medicine. Since the biophysical and high-throughput methods used to ... ...

    Abstract Protein-protein interaction (PPI) networks consist of the physical and/or functional interactions between the proteins of an organism, and they form the basis for the field of network medicine. Since the biophysical and high-throughput methods used to form PPI networks are expensive, time-consuming, and often contain inaccuracies, the resulting networks are usually incomplete. In order to infer missing interactions in these networks, we propose a novel class of link prediction methods based on continuous-time classical and quantum walks. In the case of quantum walks, we examine the usage of both the network adjacency and Laplacian matrices for specifying the walk dynamics. We define a score function based on the corresponding transition probabilities and perform tests on six real-world PPI datasets. Our results show that continuous-time classical random walks and quantum walks using the network adjacency matrix can successfully predict missing protein-protein interactions, with performance rivalling the state-of-the-art.
    Language English
    Publishing date 2023-04-28
    Publishing country Switzerland
    Document type Journal Article
    ZDB-ID 2014734-X
    ISSN 1099-4300 ; 1099-4300
    ISSN (online) 1099-4300
    ISSN 1099-4300
    DOI 10.3390/e25050730
    Database MEDical Literature Analysis and Retrieval System OnLINE

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  2. Book ; Online: Link prediction with continuous-time classical and quantum walks

    Goldsmith, Mark / García-Pérez, Guillermo / Malmi, Joonas / Rossi, Matteo A. C. / Saarinen, Harto / Maniscalco, Sabrina

    2022  

    Abstract: Protein-protein interaction (PPI) networks consist of the physical and/or functional interactions between the proteins of an organism. Since the biophysical and high-throughput methods used to form PPI networks are expensive, time-consuming, and often ... ...

    Abstract Protein-protein interaction (PPI) networks consist of the physical and/or functional interactions between the proteins of an organism. Since the biophysical and high-throughput methods used to form PPI networks are expensive, time-consuming, and often contain inaccuracies, the resulting networks are usually incomplete. In order to infer missing interactions in these networks, we propose a novel class of link prediction methods based on continuous-time classical and quantum random walks. In the case of quantum walks, we examine the usage of both the network adjacency and Laplacian matrices for controlling the walk dynamics. We define a score function based on the corresponding transition probabilities and perform tests on four real-world PPI datasets. Our results show that continuous-time classical random walks and quantum walks using the network adjacency matrix can successfully predict missing protein-protein interactions, with performance rivalling the state of the art.

    Comment: 9 pages, 5 figures
    Keywords Quantum Physics ; Computer Science - Machine Learning ; Computer Science - Social and Information Networks ; Quantitative Biology - Molecular Networks
    Subject code 612
    Publishing date 2022-08-23
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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  3. Book ; Online: Quantum network medicine

    Maniscalco, Sabrina / Borrelli, Elsi-Mari / Cavalcanti, Daniel / Foti, Caterina / Glos, Adam / Goldsmith, Mark / Knecht, Stefan / Korhonen, Keijo / Malmi, Joonas / Nykänen, Anton / Rossi, Matteo A. C. / Saarinen, Harto / Sokolov, Boris / Talarico, N. Walter / Westergren, Jussi / Zimborás, Zoltán / García-Pérez, Guillermo

    rethinking medicine with network science and quantum algorithms

    2022  

    Abstract: Scientific and technological advances in medicine and systems biology have unequivocally shown that health and disease must be viewed in the context of the interplay among multiple molecular and environmental factors. Understanding the effects of ... ...

    Abstract Scientific and technological advances in medicine and systems biology have unequivocally shown that health and disease must be viewed in the context of the interplay among multiple molecular and environmental factors. Understanding the effects of cellular interconnection on disease progression may lead to the identification of novel disease genes and pathways, and hence influence precision diagnostics and therapeutics. To accomplish this goal, the emerging field of network medicine applies network science approaches to investigate disease pathogenesis, integrating information from relevant Omics databases, including protein-protein interaction, correlation-based, gene regulatory, and Bayesian networks. However, this requires analysing and computing large amounts of data. Moreover, if we are to efficiently search for new drugs and new drug combinations, there is a pressing need for computational methods that could allow us to access the immense chemical compound space until now largely unexplored. Finally, at the microscopic level, drug-target chemistry simulation is ultimately a quantum problem, and hence it requires a quantum solution. As we will discuss, quantum computing may be a key ingredient in enabling the full potential of network medicine. We propose to combine network medicine and quantum algorithms in a novel research field, quantum network medicine, to lay the foundations of a new era of disease prevention and drug design.
    Keywords Quantum Physics ; Quantitative Biology - Molecular Networks ; Quantitative Biology - Quantitative Methods
    Subject code 006
    Publishing date 2022-06-22
    Publishing country us
    Document type Book ; Online
    Database BASE - Bielefeld Academic Search Engine (life sciences selection)

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