Hiroaki Iwata

Publication Activity (10 Years)

Years Active: 2012-2023
Publications (10 Years): 10

Top Topics

Negative Samples

Protein Interaction

Top Venues

J. Chem. Inf. Model.

J. Comput. Chem.

J. Cheminformatics

Publications

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) (2023)
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) (2023)
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) (2022)
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) (2021)
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) (2020)
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) (2018)
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) (2018)
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) (2015)
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) (2015)
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) (2015)
Hiroaki Iwata, Keiji Saneyoshi
Forward obstacle detection in a lane by stereo vision. IECON (2013)
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) (2013)
Hiroaki Iwata, Keiji Saneyoshi
Forward obstacle detection system by stereo vision. ROBIO (2012)