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  1. 1. Molecular Optimization Using Graph-to-Graph Translation

    Uppsats för yrkesexamina på avancerad nivå, Umeå universitet/Institutionen för matematik och matematisk statistik

    Författare :Emil Sandström; [2020]
    Nyckelord :Machine learning; Deep learning; Molecular Optimization; Transformer; Seq2seq; Graph-to-Graph Translation Ac;

    Sammanfattning : Drug development is a protracted and expensive process. One of the main challenges indrug discovery is to find molecules with desirable properties. Molecular optimization is thetask of optimizing precursor molecules by affording them with desirable properties. LÄS MER