Papers - KAWAI Kentaro
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Metal-ligand interactions: An analysis of zinc binding groups using the Protein Data Bank
Kentaro Kawai, Naoya Nagata
Eur. J. Med. Chem.51 271 - 276 2012.05
Joint Work
Research paper (scientific journal)
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構造設計/構造創出のための分子進化アルゴリズム
河合 健太郎, 吉丸 和孝, 高橋 由雅
日本コンピュータ化学会誌10 ( 1 ) 25 - 31 2011.12
Joint Work
Research paper (scientific journal)
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Generation of Target-Selective Drug Candidate Structures Using Molecular Evolutionary Algorithm with SVM Classifiers
Kentaro Kawai, Kazutaka Yoshimaru, Yoshimasa Takahashi
Journal of computer chemistry, Japan10 ( 1 ) 79 - 87 2011.12
Joint Work
Research paper (scientific journal)
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サポートベクターマシンによる高血圧治療薬のバーチャルスクリーニング
河合 健太郎, 高橋 由雅
日本コンピュータ化学会誌9 ( 1 ) 167 - 175 2010.12
Joint Work
Research paper (scientific journal)
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Identification of the Dual Action Antihypertensive Drugs Using TFS-Based Support Vector Machines
Kentaro Kawai, Yoshimasa Takahashi
Chem-Bio Informatics Journal9 41 - 51 2008.12
Joint Work
Research paper (scientific journal)
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Predictive activity profiling of drugs by topological-fragment-spectra-based support vector machines
Kentaro Kawai, Satoshi Fujishima, Yoshimasa Takahashi
J. Chem. Inf. Model.48 ( 6 ) 1152 - 1160 2008.06
Joint Work
Research paper (scientific journal)
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Reverse hydroxamate-based selective TACE inhibitors
Noriyuki Kamei, Tomohiro Tanaka, Kentaro Kawai, Kyosei Miyawaki, Akihiko Okuyama, Yoshiko Murakami, Yoshio Arakawa, Makoto Haino, Tatsuhiro Harada, Masanao Shimano
Bioorg. Med. Chem. Lett.14 ( 11 ) 2897 - 2900 2004.06
Joint Work
Research paper (scientific journal)
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Synthesis of the AB-ring segment for the convergent construction of the left half in ciguatoxin
Hideki Tanaka, Kentaro Kawai, Kenshu Fujiwara, Akio Murai
Tetrahedron58 ( 50 ) 10017 - 10031 2002.12
Joint Work
Research paper (scientific journal)
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Convergent synthesis of the BCDE-ring part of ciguatoxin
Kenshu Fujiwara, Yasuhito Koyama, Kentaro Kawai, Hideki Tanaka, Akio Murai
Synlett2002 ( 11 ) 1835 - 1838 2002
Joint Work
Research paper (scientific journal)
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Convergent syntheses of the enantiomeric CD- and JK-ring parts of ciguatoxin
Kenshu Fujiwara, Daisuke Takaoka, Kensuke Kusumi, Kentaro Kawai, Akio Murai
Synlett2001 ( 5 ) 691 - 693 2001.05
Joint Work
Research paper (scientific journal)
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Electrophilic aromatic substitution using fluorinated isoxazolines at C5 position via C-F bond cleavage
Kazuyuki Sato, Tomohiro Kuroki, Haruka Minami, Azusa Sato, Yukiko Karuo, Atsushi Tarui, Kentaro Kawai, Masaaki Omote
RSC Advances2024 ( 14 ) 39543 - 39549 2024.12
Joint Work
Research paper (scientific journal)
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Synthesis of fluoroalkenes and fluoroenynes via cross-coupling reactions using novel multihalogenated vinyl ethers
Yukiko Karuo, Keita Hirata, Atsushi Tarui, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
Beilstein J. Org. Chem.2024 ( 20 ) 2691 - 2703 2024.10
Joint Work
Research paper (scientific journal)
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Development of drug discovery platforms using artificial intelligence and cheminformatics
Kentaro Kawai, Yukiko Karuo, Atsushi Tarui, Kazuyuki Sato, Makoto Kataoka, Masaaki Omote
Chem. Pharm. Bull.2024 ( 72 ) 794 - 799 2024.09
Joint Work
Research paper (scientific journal)
Authorship: Lead author Corresponding author
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Construction of new quaternary carbon center of fluorinated isoxazolines at C5 position via C-F bond cleavage
Kazuyuki Sato, Kazuki Nakano, Takahiro Ueda, Yukine Kitamura, Yuna Tanaka, Yukiko Karuo, Atsushi Tarui, Kentaro Kawai, Masaaki Omote
Journal of Fluorine Chemistry279 110335 - 110335 2024.08
Joint Work
Research paper (scientific journal)
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Advancements and challenges of artificial intelligence in drug discovery and synthetic organic chemistry
Kentaro Kawai
The Journal of Synthetic Organic Chemistry82 ( 8 ) 780 - 790 2024.08
Single Work
Research paper (scientific journal)
Authorship: Lead author Last author Corresponding author
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Rhodium-catalyzed homo-coupling reaction of aryl Grignard reagents and its application for the synthesis of an integrin inhibitor
Kazuyuki Sato, Satoki Teranishi, Atsushi Sakaue, Yukiko Karuo, Atsushi Tarui, Kentaro Kawai, Hiroyuki Takeda, Tatsuo Kinashi, Masaaki Omote
Beilstein J. Org. Chem.2024 ( 20 ) 1341 - 1347 2024.06
Joint Work
Research paper (scientific journal)
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Decarboxylative aldol reaction of alpha,alpha-difluoro-beta-keto esters: easy access to difluoroenolate
Atsushi Tarui, Hiroshi Shimomura, Yohei Yasuno, Yukiko Karuo, Kazuyuki Sato, Kentaro Kawai, Masaaki Omote
ACS Omega2024 ( 9 ) 26275 - 26284 2024.06
Joint Work
Research paper (scientific journal)