Tatsuya Yoshizawa
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    • Avoiding Reward Hacking in Multi-Objective Molecular Design: A Data-Driven Generative Strategy with a Reliable Design Framework
    • ChemTSv2: Functional molecular design using de novo molecule generator
    • Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search
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    • 複数の特性予測モデルの信頼性を考慮した分子の多目的最適化
    • Multi-objective Molecular Structure Generation Using Dynamic Applicability Domains Adaptation
    • 強化学習に基づく分子生成手法を用いたキナーゼ選択的阻害剤の設計
    • 強化学習に基づく分子生成手法を用いた選択的阻害剤の設計
    • Dscoreに基づく多目的最適化によるChemTSを用いた選択性阻害剤の設計
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複数の特性予測モデルの信頼性を考慮した分子の多目的最適化

Nov 21, 2023·
吉澤竜哉
,
石田祥一
,
佐藤朋広
,
大田雅照
,
本間光貴
,
寺山慧
· 0 min read
受賞コメント
Publication
第51回構造活性相関シンポジウム. 2023/11/21
Date
Nov 21, 2023 12:00 AM
Last updated on Nov 21, 2023
Multi-objective Molecular Structure Generation Using Dynamic Applicability Domains Adaptation Oct 24, 2023 →

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