Sökning: "PoChun Chang"

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  1. 1. Improving Transformer-Based Molecular Optimization Using Reinforcement Learning

    Master-uppsats, Uppsala universitet/Institutionen för lingvistik och filologi

    Författare :PoChun Chang; [2021]
    Nyckelord :molecular optimization; transformer; nlp; natural language processing; ai; drug discovery; machine learning; deep learning;

    Sammanfattning : By formulating the task of property-based molecular optimization into a neural machine translation problem, researchers have been able to apply the Transformer model from the field of natural language processing to generate molecules with desirable properties by making a small modification to a given starting molecule. These results verify the capability of Transformer models in capturing the connection between properties and structural changes in molecular pairs. LÄS MER