Hiroaki Iwata

According to our database, Hiroaki Iwata authored at least 17 papers between 2012 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

Chemical genomics language model toward reliable and explainable compound-protein interaction exploration.

Takuto Koyama, Hayato Tsumura, Ryunosuke Okita, Kimihiro Yamazaki, Aki Hasegawa, Keiko Imamura, Takashi Kato, Hiroaki Iwata, Ryosuke Kojima, Haruhisa Inoue, Shigeyuki Matsumoto, Yasushi Okuno

J. Cheminformatics, December, 2026

Empowering federated learning for robust compound-protein interaction prediction across heterogeneous cross-pharma domains.

Takuto Koyama, Hiroaki Iwata, Ryosuke Kojima, Takao Otsuka, Aki Hasegawa, Seungeon Lee, Hiroshi Ueda, Toshiharu Morimoto, Ryoko Sasaki, Nao Torimoto, Sei Murakami, Manabu Tojo, Teruki Honma, Shigeyuki Matsumoto, Yasushi Okuno

J. Cheminformatics, December, 2026

2025

kMoL: an open-source machine and federated learning library for drug discovery.

Romeo Cozac, Haris Hasic, Jun Jin Choong, Vincent Richard, Loic Beheshti, Cyrille Froehlich, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Hiroaki Iwata, Aki Hasegawa, Takao Otsuka, Yasushi Okuno

J. Cheminformatics, December, 2025

Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization.

Shoma Ito, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yuji Okamoto, Masataka Kuroda, Hitoshi Kawashima, Reiko Watanabe, Tomoki Yonezawa, Takaaki Sumiyoshi, Kazuyoshi Ikeda, Kenji Mizuguchi, Hiroaki Iwata, Yasushi Okuno

J. Chem. Inf. Model., 2025

2023

VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree Search.

Hiroaki Iwata, Taichi Nakai, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yasushi Okuno

J. Chem. Inf. Model., December, 2023

Improving Compound-Protein Interaction Prediction by Self-Training with Augmenting Negative Samples.

Takuto Koyama, Shigeyuki Matsumoto, Hiroaki Iwata, Ryosuke Kojima, Yasushi Okuno

J. Chem. Inf. Model., August, 2023

2022

Predicting Total Drug Clearance and Volumes of Distribution Using the Machine Learning-Mediated Multimodal Method through the Imputation of Various Nonclinical Data.

Hiroaki Iwata, Tatsuru Matsuo, Hideaki Mamada, Takahisa Motomura, Mayumi Matsushita, Takeshi Fujiwara, Kazuya Maeda, Koichi Handa

J. Chem. Inf. Model., 2022

2021

Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations.

Biao Ma, Kei Terayama, Shigeyuki Matsumoto, Yuta Isaka, Yoko Sasakura, Hiroaki Iwata, Mitsugu Araki, Yasushi Okuno

J. Chem. Inf. Model., 2021

2020

kGCN: a graph-based deep learning framework for chemical structures.

Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, Hiroaki Iwata, Teruki Honma, Yasushi Okuno

J. Cheminformatics, 2020

2018

Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach.

Mitsugu Araki, Hiroaki Iwata, Biao Ma, Atsuto Fujita, Kei Terayama, Yukari Sagae, Fumie Ono, Koji Tsuda, Narutoshi Kamiya, Yasushi Okuno

J. Comput. Chem., 2018

Machine learning accelerates MD-based binding pose prediction between ligands and proteins.

Kei Terayama, Hiroaki Iwata, Mitsugu Araki, Yasushi Okuno, Koji Tsuda

Bioinform., 2018

2015

Target-Based Drug Repositioning Using Large-Scale Chemical-Protein Interactome Data.

Ryusuke Sawada, Hiroaki Iwata, Sayaka Mizutani, Yoshihiro Yamanishi

J. Chem. Inf. Model., 2015

Systematic Drug Repositioning for a Wide Range of Diseases with Integrative Analyses of Phenotypic and Molecular Data.

Hiroaki Iwata, Ryusuke Sawada, Sayaka Mizutani, Yoshihiro Yamanishi

J. Chem. Inf. Model., 2015

Large-Scale Prediction of Beneficial Drug Combinations Using Drug Efficacy and Target Profiles.

Hiroaki Iwata, Ryusuke Sawada, Sayaka Mizutani, Masaaki Kotera, Yoshihiro Yamanishi

J. Chem. Inf. Model., 2015

2013

Inferring protein domains associated with drug side effects based on drug-target interaction network.

Hiroaki Iwata, Sayaka Mizutani, Yasuo Tabei, Masaaki Kotera, Susumu Goto, Yoshihiro Yamanishi

BMC Syst. Biol., 2013

Forward obstacle detection in a lane by stereo vision.

Hiroaki Iwata, Keiji Saneyoshi

Proceedings of the IECON 2013, 2013

2012

Forward obstacle detection system by stereo vision.

Hiroaki Iwata, Keiji Saneyoshi

Proceedings of the 2012 IEEE International Conference on Robotics and Biomimetics, 2012