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Journal of Chemical Information and Modeling
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June 10, 2025
Quantitative Structure-Activity Relationships for Human Galectin-3 Inhibitors: Insights from Quantum Chemical Interaction Energy Terms
Tomohide Masuda, Chiduru Watanabe, Koichiro Kato, et al.
Journal of Chemical Information and Modeling
|
November 5, 2022
Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, et al.
Nature Communications
|
March 12, 2025
A data-driven generative strategy to avoid reward hacking in multi-objective molecular design
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, et al.
Journal of Cheminformatics
|
January 12, 2021
kGCN: a graph-based deep learning framework for chemical structures
Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, et al.
Scientific Reports
|
October 17, 2020
Structure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis
Shuntaro Chiba, Aki Tanabe, Makoto Nakakido, et al.
Bioorganic & Medicinal Chemistry
|
December 26, 2012
Effects of fluorines on nonsecosteroidal vitamin D receptor agonists
Hirotaka Kashiwagi, Masateru Ohta, Yoshiyuki Ono, et al.
Journal of Cheminformatics
|
December 14, 2023
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data
Yugo Shimizu, Masateru Ohta, Shoichi Ishida, et al.
Clinical Cancer Research : an Official Journal of the American Association for Cancer Research
|
June 25, 2011
Pertuzumab in combination with trastuzumab shows significantly enhanced antitumor activity in HER2-positive human gastric cancer xenograft models
Yoriko Yamashita-Kashima, Shigeyuki Iijima, Keigo Yorozu, et al.
JACS Au
|
February 27, 2026
Data-Driven Design of PROTAC Linkers to Improve PROTAC Cell Membrane Permeability
Yuki Murakami, Shoichi Ishida, Nobuo Cho, et al.
Bioorganic & Medicinal Chemistry
|
March 5, 2013
A series of nonsecosteroidal vitamin D receptor agonists for osteoporosis therapy
Hirotaka Kashiwagi, Yoshiyuki Ono, Masateru Ohta, et al.
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Search research articles
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Showing results (11-20 of 38) with videos related to
Sort By:
Page
of 4
Journal of Chemical Information and Modeling
|
June 10, 2025
Quantitative Structure-Activity Relationships for Human Galectin-3 Inhibitors: Insights from Quantum Chemical Interaction Energy Terms
Tomohide Masuda, Chiduru Watanabe, Koichiro Kato, et al.
Journal of Chemical Information and Modeling
|
November 5, 2022
Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, et al.
Nature Communications
|
March 12, 2025
A data-driven generative strategy to avoid reward hacking in multi-objective molecular design
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, et al.
Journal of Cheminformatics
|
January 12, 2021
kGCN: a graph-based deep learning framework for chemical structures
Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, et al.
Scientific Reports
|
October 17, 2020
Structure-based design and discovery of novel anti-tissue factor antibodies with cooperative double-point mutations, using interaction analysis
Shuntaro Chiba, Aki Tanabe, Makoto Nakakido, et al.
Bioorganic & Medicinal Chemistry
|
December 26, 2012
Effects of fluorines on nonsecosteroidal vitamin D receptor agonists
Hirotaka Kashiwagi, Masateru Ohta, Yoshiyuki Ono, et al.
Journal of Cheminformatics
|
December 14, 2023
AI-driven molecular generation of not-patented pharmaceutical compounds using world open patent data
Yugo Shimizu, Masateru Ohta, Shoichi Ishida, et al.
Clinical Cancer Research : an Official Journal of the American Association for Cancer Research
|
June 25, 2011
Pertuzumab in combination with trastuzumab shows significantly enhanced antitumor activity in HER2-positive human gastric cancer xenograft models
Yoriko Yamashita-Kashima, Shigeyuki Iijima, Keigo Yorozu, et al.
JACS Au
|
February 27, 2026
Data-Driven Design of PROTAC Linkers to Improve PROTAC Cell Membrane Permeability
Yuki Murakami, Shoichi Ishida, Nobuo Cho, et al.
Bioorganic & Medicinal Chemistry
|
March 5, 2013
A series of nonsecosteroidal vitamin D receptor agonists for osteoporosis therapy
Hirotaka Kashiwagi, Yoshiyuki Ono, Masateru Ohta, et al.
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of 4