Hiroaki Iwata
9PUBLICATIONS
21CO-AUTHORS
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Publications (9)
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|Oct 22, 2025
Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization.Shoma Ito, Takuto Koyama, Shigeyuki Matsumoto
|May 09, 2025
Machine Learning Prediction and Validation of Plasma Concentration-Time Profiles.Hiroaki Iwata, Michiharu Kageyama, Koichi Handa
|Mar 31, 2025
Precision spatiotemporal analysis of large-scale compound-protein interactions through molecular dynamics simulation.Shigeyuki Matsumoto, Yuta Isaka, Ryo Kanada
|Dec 06, 2024
Transforming drug discovery: the impact of AI and molecular simulation on R&D efficiency.Hiroaki Iwata
|Dec 04, 2024
Accelerating virtual patient generation with a Bayesian optimization and machine learning surrogate model.Hiroaki Iwata, Ryuta Saito
|Nov 22, 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
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Frequent Collaborators
3 joint publications
Takuto Koyama
3 joint publications
Ryosuke Kojima
2 joint publications
Biao Ma
2 joint publications
Kei Terayama
2 joint publications
Shigeyuki Matsumoto
1 joint publications
Mitsugu Araki
1 joint publications
Hideaki Mamada
1 joint publications
Ryuta Saito
1 joint publications
Ryo Kanada
1 joint publications
Shuntaro Chiba
