Treballs Fi de GrauEnginyeria Química

De Novo molecule generation for biomedical research

  • Identification data

    Identifier:  TFG:7023
    Handle: https://hdl.handle.net/20.500.11797/TFG7023
    Authors:  García Martínez, Alejandro
    Abstract:
    In recent years, multiple generative models have been developed for De Novo molecule generation. Generative models are a potentially powerful tool for generating molecules and exploring chemical space.

  • Others:

    Department: Enginyeria Química
    Subject: Enginyeria Biomèdica
    Work's public defense date: 2023-06-20
    Creation date in repository: 2024-05-10
    Academic year: 2022-2023
    Student: García Martínez, Alejandro
    Work's codirector: Sales Pardo, Marta
    Access rights: info:eu-repo/semantics/openAccess
    Education area(s): Enginyeria Biomèdica
    Entity: Universitat Rovira i Virgili (URV)
    Confidenciality: No
    Project director: Guimerà Manrique, Roger
    Language: en

  • Keywords:

    deep generative models; graph convolutional policy network; metabolomics; drug discovery
    Biomedical Engineering

  • Documents:

    Memòria

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