京都大学 · 医学部・医学研究科 · 特定助教

研究关键词ligand-based virtual screening・scaffold hopping・activity prediction・structure-activity relationship・interaction fingerprints・chemoinformatics

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• Bridging Structure- and Ligand-Based Virtual Screening through Fragmented Interaction FingerprintACS Omega,
• Ligand-based approaches to activity prediction for the early stage of structure–activity–relationship progressionJournal of Computer-Aided Molecular Design,
• Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity TestJournal of Chemical Information and Modeling,

• 新規骨格構造を有する医薬品候補化合物探索手法の開発2023

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