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Journal of Cheminformatics
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April 23, 2025
GESim: ultrafast graph-based molecular similarity calculation via von Neumann graph entropy
Hiroaki Shiokawa, Shoichi Ishida, Kei Terayama
Biophysics and Physicobiology
|
March 18, 2024
Quantitative analysis of protein dynamics using a deep learning technique combined with experimental cryo-EM density data and MD simulations
Shigeyuki Matsumoto, Shoichi Ishida, Kei Terayama, et al.
Journal of Chemical Information and Modeling
|
September 8, 2022
QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization
Masato Sumita, Kei Terayama, Ryo Tamura, et al.
Accounts of Chemical Research
|
February 26, 2021
Black-Box Optimization for Automated Discovery
Kei Terayama, Masato Sumita, Ryo Tamura, et al.
Scientific Reports
|
November 6, 2024
Performance of uncertainty-based active learning for efficient approximation of black-box functions in materials science
Ai Koizumi, Guillaume Deffrennes, Kei Terayama, et al.
Journal of Cheminformatics
|
March 25, 2025
Large language models open new way of AI-assisted molecule design for chemists
Shoichi Ishida, Tomohiro Sato, Teruki Honma, et al.
Scientific Reports
|
April 10, 2026
Assessing the performance of multimodal large language models in experimental information extraction from liquid-liquid phase separation literature
Ka Yin Chin, Satoru Fujii, Shoichi Ishida, et al.
BMC Bioinformatics
|
April 2, 2024
Predicting condensate formation of protein and RNA under various environmental conditions
Ka Yin Chin, Shoichi Ishida, Yukio Sasaki, et al.
Journal of Chemical Information and Modeling
|
March 8, 2022
AI-Driven Synthetic Route Design Incorporated with Retrosynthesis Knowledge
Shoichi Ishida, Kei Terayama, Ryosuke Kojima, et al.
The Journal of Chemical Physics
|
December 12, 2019
evERdock BAI: Machine-learning-guided selection of protein-protein complex structure
Kei Terayama, Ai Shinobu, Koji Tsuda, et al.
Page
of 6
Search research articles
Search
Showing results (1-10 of 51) with videos related to
Sort By:
Page
of 6
Journal of Cheminformatics
|
April 23, 2025
GESim: ultrafast graph-based molecular similarity calculation via von Neumann graph entropy
Hiroaki Shiokawa, Shoichi Ishida, Kei Terayama
Biophysics and Physicobiology
|
March 18, 2024
Quantitative analysis of protein dynamics using a deep learning technique combined with experimental cryo-EM density data and MD simulations
Shigeyuki Matsumoto, Shoichi Ishida, Kei Terayama, et al.
Journal of Chemical Information and Modeling
|
September 8, 2022
QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization
Masato Sumita, Kei Terayama, Ryo Tamura, et al.
Accounts of Chemical Research
|
February 26, 2021
Black-Box Optimization for Automated Discovery
Kei Terayama, Masato Sumita, Ryo Tamura, et al.
Scientific Reports
|
November 6, 2024
Performance of uncertainty-based active learning for efficient approximation of black-box functions in materials science
Ai Koizumi, Guillaume Deffrennes, Kei Terayama, et al.
Journal of Cheminformatics
|
March 25, 2025
Large language models open new way of AI-assisted molecule design for chemists
Shoichi Ishida, Tomohiro Sato, Teruki Honma, et al.
Scientific Reports
|
April 10, 2026
Assessing the performance of multimodal large language models in experimental information extraction from liquid-liquid phase separation literature
Ka Yin Chin, Satoru Fujii, Shoichi Ishida, et al.
BMC Bioinformatics
|
April 2, 2024
Predicting condensate formation of protein and RNA under various environmental conditions
Ka Yin Chin, Shoichi Ishida, Yukio Sasaki, et al.
Journal of Chemical Information and Modeling
|
March 8, 2022
AI-Driven Synthetic Route Design Incorporated with Retrosynthesis Knowledge
Shoichi Ishida, Kei Terayama, Ryosuke Kojima, et al.
The Journal of Chemical Physics
|
December 12, 2019
evERdock BAI: Machine-learning-guided selection of protein-protein complex structure
Kei Terayama, Ai Shinobu, Koji Tsuda, et al.
Page
of 6