Kei Terayama

Publication Activity (10 Years)

Years Active: 2019-2023
Publications (10 Years): 22

Top Topics

Machine Learning

Artificial Intelligence

Electron Transfer

Molecular Dynamics

Top Venues

Journal of chemical information and modeling

Occupational therapy international

Journal of chemical theory and computation

Accounts of chemical research

This page only lists publications with an associated author ORCID identifier.

Publications

Kei Terayama, Yamato Osaki, Takehiro Fujita, Ryo Tamura, Masanobu Naito, Koji Tsuda, Toru Matsui, Masato Sumita
Koopmans' Theorem-Compliant Long-Range Corrected (KTLC) Density Functional Mediated by Black-Box Optimization and Data-Driven Prediction for Organic Molecules. Journal of chemical theory and computation (2023)
Naoto Ienaga, Shuhei Takahata, Kei Terayama, Daiki Enomoto, Hiroyuki Ishihara, Haruka Noda, Hiromichi Hagihara
Development and Verification of Postural Control Assessment Using Deep-Learning-Based Pose Estimators: Towards Clinical Applications. Occupational therapy international 2022 (2022)
Masato Sumita, Kei Terayama, Naoya Suzuki, Shinsuke Ishihara, Ryo Tamura, Mandeep K Chahal, Daniel T Payne, Kazuki Yoshizoe, Koji Tsuda
De novo creation of a naked eye-detectable fluorescent molecule based on quantum chemical computation and machine learning. Science advances 8 (10) (2022)
Masato Sumita, Kei Terayama, Ryo Tamura, Koji Tsuda
QCforever: A Quantum Chemistry Wrapper for Everyone to Use in Black-Box Optimization. Journal of chemical information and modeling 62 (18) (2022)
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama
Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search. Journal of chemical information and modeling 62 (22) (2022)
Shoichi Ishida, Kei Terayama, Ryosuke Kojima, Kiyosei Takasu, Yasushi Okuno
AI-Driven Synthetic Route Design Incorporated with Retrosynthesis Knowledge. Journal of chemical information and modeling 62 (6) (2022)
Naoto Ienaga, Shuhei Takahata, Kei Terayama, Daiki Enomoto, Hiroyuki Ishihara, Haruka Noda, Hiromichi Hagihara
Development and Verification of Postural Control Assessment Using Deep-Learning-Based Pose Estimators: Towards Clinical Applications. Occupational therapy international 2022 (2022)
Atsushi Tokuhisa, Yoshinobu Akinaga, Kei Terayama, Yuji Okamoto, Yasushi Okuno
Single-Image Super-Resolution Improvement of X-ray Single-Particle Diffraction Images Using a Convolutional Neural Network. Journal of chemical information and modeling 62 (14) (2022)
Naoto Ienaga, Shuhei Takahata, Kei Terayama, Daiki Enomoto, Hiroyuki Ishihara, Haruka Noda, Hiromichi Hagihara
Development and Verification of Postural Control Assessment Using Deep-Learning-Based Pose Estimators: Towards Clinical Applications. Occupational therapy international 2022 (2022)
Ryo Kanada, Kei Terayama, Atsushi Tokuhisa, Shigeyuki Matsumoto, Yasushi Okuno
Enhanced Conformational Sampling with an Adaptive Coarse-Grained Elastic Network Model Using Short-Time All-Atom Molecular Dynamics. Journal of chemical theory and computation 18 (4) (2022)
Xiaolin Sun, Ryo Tamura, Masato Sumita, Kenichi Mori, Kei Terayama, Koji Tsuda
Integrating Incompatible Assay Data Sets with Deep Preference Learning. ACS medicinal chemistry letters 13 (1) (2021)
Biao Ma, Kei Terayama, Shigeyuki Matsumoto, Yuta Isaka, Yoko Sasakura, Hiroaki Iwata, Mitsugu Araki, Yasushi Okuno
Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations. Journal of chemical information and modeling 61 (7) (2021)
Kei Terayama, Masato Sumita, Michio Katouda, Koji Tsuda, Yasushi Okuno
Efficient Search for Energetically Favorable Molecular Conformations against Metastable States via Gray-Box Optimization. Journal of chemical theory and computation 17 (8) (2021)
Kei Terayama, Masato Sumita, Ryo Tamura, Koji Tsuda
Black-Box Optimization for Automated Discovery. Accounts of chemical research 54 (6) (2021)
Kei Terayama, Masato Sumita, Ryo Tamura, Daniel T Payne, Mandeep K Chahal, Shinsuke Ishihara, Koji Tsuda
Pushing property limits in materials discovery via boundless objective-free exploration. Chemical science 11 (23) (2020)
Ryosuke Shibukawa, Shoichi Ishida, Kazuki Yoshizoe, Kunihiro Wasa, Kiyosei Takasu, Yasushi Okuno, Kei Terayama, Koji Tsuda
CompRet: a comprehensive recommendation framework for chemical synthesis planning with algorithmic enumeration. Journal of cheminformatics 12 (1) (2020)
Ryo Kanada, Atsushi Tokuhisa, Koji Tsuda, Yasushi Okuno, Kei Terayama
Exploring Successful Parameter Region for Coarse-Grained Simulation of Biomolecules by Bayesian Optimization and Active Learning. Biomolecules 10 (3) (2020)
Hiromichi Hagihara, Naoto Ienaga, Kei Terayama, Yusuke Moriguchi, Masa-Aki Sakagami
Looking represents choosing in toddlers: Exploring the equivalence between multimodal measures in forced-choice tasks. Infancy : the official journal of the International Society on Infant Studies 26 (1) (2020)
Hiromichi Hagihara, Naoto Ienaga, Daiki Enomoto, Shuhei Takahata, Hiroyuki Ishihara, Haruka Noda, Koji Tsuda, Kei Terayama
Computer Vision-Based Approach for Quantifying Occupational Therapists' Qualitative Evaluations of Postural Control. Occupational therapy international 2020 (2020)
Atsushi Tokuhisa, Ryo Kanada, Shuntaro Chiba, Kei Terayama, Yuta Isaka, Biao Ma, Narutoshi Kamiya, Yasushi Okuno
Coarse-Grained Diffraction Template Matching Model to Retrieve Multiconformational Models for Biomolecule Structures from Noisy Diffraction Patterns. Journal of chemical information and modeling 60 (6) (2020)
Kei Terayama, Ai Shinobu, Koji Tsuda, Kazuhiro Takemura, Akio Kitao
evERdock BAI: Machine-learning-guided selection of protein-protein complex structure. The Journal of chemical physics 151 (21) (2019)
Shoichi Ishida, Kei Terayama, Ryosuke Kojima, Kiyosei Takasu, Yasushi Okuno
Prediction and Interpretable Visualization of Retrosynthetic Reactions Using Graph Convolutional Networks. Journal of chemical information and modeling 59 (12) (2019)