Yamaguchi Shigeru

Affiliation and department：

Research keywords (2)： Organic chemistry , Catalysis Informatics

Research theme for competitive and other funds (4)：

2020 - 2022 ハイブリッド触媒開発を加速するデータ駆動型インシリコ分子設計法の構築
2018 - 2020 不斉酸素酸化反応におけるハイブリッド触媒のデータ駆動による効率的設計
2016 - 2018 Development of a method for catalytic asymmetric synthesis of organic peroxide using singlet oxygen
2008 - 2010 ポルフィリンピンサー型錯体を基盤とした新規機能性分子の開発

Papers (27)：

Shigeru Yamaguchi, Takahiro Kikuchi, Kenichi Tanaka, Ikuko Takamiya. Molecular field analysis in half-titanocene complexes: computational study towards data-driven <i>in silico</i> optimization of single-site olefin polymerization catalysts. Catalysis Science & Technology. 2024
Masakiyo Mukai, Kazunori Nagao, Shigeru Yamaguchi, Hirohisa Ohmiya. Molecular Field Analysis Using Computational-Screening Data in Asymmetric N-Heterocyclic Carbene-Copper Catalysis toward Data-Driven In Silico Catalyst Optimization. Bulletin of the Chemical Society of Japan. 2022. 95. 2. 271-277
Shigeru Yamaguchi. Molecular field analysis for data-driven molecular design in asymmetric catalysis. Organic & Biomolecular Chemistry. 2022
Shao-Jie Lou, Gen Luo, Shigeru Yamaguchi, Kun An, Masayoshi Nishiura, Zhaomin Hou. Modular Access to Spiro-dihydroquinolines via Scandium-Catalyzed Dearomative Annulation of Quinolines with Alkynes. Journal of the American Chemical Society. 2021. 143. 48. 20462-20471
Hongyu Chen, Shigeru Yamaguchi, Yuya Morita, Hiroyasu Nakao, Xiangning Zhai, Yohei Shimizu, Harunobu Mitsunuma, Motomu Kanai. Data-driven catalyst optimization for stereodivergent asymmetric synthesis by iridium/boron hybrid catalysis. Cell Reports Physical Science. 2021. 2. 12. 100679-100679

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MISC (5)：

Books (2)：

Lectures and oral presentations (28)：

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Education (3)：

2013 - 2015 Division of Bioinformatics and Chemical Genomics, Graduate School of Pharmaceutical Sciences, Kyoto University
2008 - 2011 Department of Chemistry, Graduate School of Science, Kyoto University
2006 - 2008 Department of Chemistry, Graduate School of Science, Kyoto University

Professional career (1)：

Work history (7)：

2022/01 - 現在 RIKEN CSRS Visiting researcher
2020/04 - 2021/12 RIKEN CSRS Senior research scientist
2017/04 - 2020/03 RIKEN CSRS Special postdoctoral researcher
2015/04 - 2017/03 RIKEN CSRS Postdoctoral researcher
2013/06 - 2013/09 Bioinformatics Center, Institute for Chemical Research, Kyoto University Research assistant

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