Essays about: "Zhao Jiaxi"

Found 1 essay containing the words Zhao Jiaxi.

  1. 1. In silico design of small molecular libraries via Reinforcement learning

    University essay from Uppsala universitet/Institutionen för farmaceutisk biovetenskap

    Author : Zhao Jiaxi; [2021]
    Keywords : generative model; reinforcement learning; de novo design; library design;

    Abstract : During the last decade, there is an increasing interest in applying deep learning in de novo drug design. In this thesis, a tool is developed to address the specific needs for generating small library for lead optimization. The optimization of small molecules is conducted given an input scaffold with defined attachment points. READ MORE