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ORCIDHiroaki Iwata
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2020 – today
- 2025
[j12]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:
kMoL: an open-source machine and federated learning library for drug discovery. J. Cheminformatics 17(1): 22 (2025)- 2023
- [j11]Takuto Koyama, Shigeyuki Matsumoto, Hiroaki Iwata, Ryosuke Kojima, Yasushi Okuno:
Improving Compound-Protein Interaction Prediction by Self-Training with Augmenting Negative Samples. J. Chem. Inf. Model. 63(15): 4552-4559 (2023) - [j10]Hiroaki Iwata, Taichi Nakai, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yasushi Okuno:
VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree Search. J. Chem. Inf. Model. 63(23): 7392-7400 (2023) - 2022
- [j9]Hiroaki Iwata, Tatsuru Matsuo, Hideaki Mamada, Takahisa Motomura, Mayumi Matsushita, Takeshi Fujiwara, Kazuya Maeda, Koichi Handa:
Predicting Total Drug Clearance and Volumes of Distribution Using the Machine Learning-Mediated Multimodal Method through the Imputation of Various Nonclinical Data. J. Chem. Inf. Model. 62(17): 4057-4065 (2022) - 2021
- [j8]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. J. Chem. Inf. Model. 61(7): 3304-3313 (2021) - 2020
- [j7]Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, Hiroaki Iwata, Teruki Honma, Yasushi Okuno:
kGCN: a graph-based deep learning framework for chemical structures. J. Cheminformatics 12(1): 32 (2020)
2010 – 2019
- 2018
- [j6]Kei Terayama, Hiroaki Iwata, Mitsugu Araki, Yasushi Okuno, Koji Tsuda:
Machine learning accelerates MD-based binding pose prediction between ligands and proteins. Bioinform. 34(5): 770-778 (2018) - [j5]Mitsugu Araki, Hiroaki Iwata, Biao Ma, Atsuto Fujita, Kei Terayama, Yukari Sagae, Fumie Ono, Koji Tsuda, Narutoshi Kamiya, Yasushi Okuno:
Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach. J. Comput. Chem. 39(32): 2679-2689 (2018) - 2015
- [j4]Hiroaki Iwata, Ryusuke Sawada, Sayaka Mizutani, Yoshihiro Yamanishi:
Systematic Drug Repositioning for a Wide Range of Diseases with Integrative Analyses of Phenotypic and Molecular Data. J. Chem. Inf. Model. 55(2): 446-459 (2015) - [j3]Hiroaki Iwata, Ryusuke Sawada, Sayaka Mizutani, Masaaki Kotera, Yoshihiro Yamanishi:
Large-Scale Prediction of Beneficial Drug Combinations Using Drug Efficacy and Target Profiles. J. Chem. Inf. Model. 55(12): 2705-2716 (2015) - [j2]Ryusuke Sawada, Hiroaki Iwata, Sayaka Mizutani, Yoshihiro Yamanishi:
Target-Based Drug Repositioning Using Large-Scale Chemical-Protein Interactome Data. J. Chem. Inf. Model. 55(12): 2717-2730 (2015) - 2013
- [j1]Hiroaki Iwata, Sayaka Mizutani, Yasuo Tabei, Masaaki Kotera, Susumu Goto, Yoshihiro Yamanishi:
Inferring protein domains associated with drug side effects based on drug-target interaction network. BMC Syst. Biol. 7(S-6): S18 (2013) - [c2]Hiroaki Iwata, Keiji Saneyoshi:
Forward obstacle detection in a lane by stereo vision. IECON 2013: 2420-2425 - 2012
- [c1]Hiroaki Iwata, Keiji Saneyoshi:
Forward obstacle detection system by stereo vision. ROBIO 2012: 1842-1847
Coauthor Index
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