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Hiroaki Iwata

Tottori University

19H指数
58论文数
1.3K被引数
收录论文 26
发表时间
Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization利用多任务图神经网络改进ADME预测,并评估先导化合物优化中的可解释性
err2025-10-22
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errOAAI
errShoma 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
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kMoL: an open-source machine and federated learning library for drug discoverykMoL: 用于药物发现的开源机器和联合学习库
err2025-02-25
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errCozac, Romeo; Hasic, Haris; Choong, Jun Jin; Richard, Vincent; Beheshti, Loic; Froehlich, Cyrille; Koyama, Takuto; Matsumoto, Shigeyuki; Kojima, Ryosuke; Iwata, Hiroaki; Hasegawa, Aki; Otsuka, Takao; Okuno, Yasushi
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Feature extraction of particle morphologies of pharmaceutical excipients from scanning electron microscope images using convolutional neural networks
err2024-03-01
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errOAAI
errIwata, Hiroaki; Hayashi, Yoshihiro; Koyama, Takuto; Hasegawa, Aki; Ohgi, Kosuke; Kobayashi, Ippei; Okuno, Yasushi
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VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree Search
err2023-11-22
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errIwata, Hiroaki; Nakai, Taichi; Koyama, Takuto; Matsumoto, Shigeyuki; Kojima, Ryosuke; Okuno, Yasushi
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Improving Compound-Protein Interaction Prediction by Self-Training with Augmenting Negative Samples
err2023-07-17
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errKoyama, Takuto; Matsumoto, Shigeyuki; Iwata, Hiroaki; Kojima, Ryosuke; Okuno, Yasushi
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Predicting Total Drug Clearance and Volumes of Distribution Using the Machine Learning-Mediated Multimodal Method through the Imputation of Various Nonclinical Data
err2022-08-22
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errIwata, Hiroaki; Matsuo, Tatsuru; Mamada, Hideaki; Motomura, Takahisa; Matsushita, Mayumi; Fujiwara, Takeshi; Maeda, Kazuya; Handa, Koichi
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Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations
err2021-07-09
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PREAI
errMa, Biao; Terayama, Kei; Matsumoto, Shigeyuki; Isaka, Yuta; Sasakura, Yoko; Iwata, Hiroaki; Araki, Mitsugu; Okuno, Yasushi
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Prediction of Total Drug Clearance in Humans Using Animal Data: Proposal of a Multimodal Learning Method Based on Deep Learning
err2021-04-01
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errIwata, Hiroaki; Matsuo, Tatsuru; Mamada, Hideaki; Motomura, Takahisa; Matsushita, Mayumi; Fujiwara, Takeshi; Kazuya, Maeda; Handa, Koichi
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Hydrophobic interactions at subsite S1′ of human dipeptidyl peptidase IV contribute significantly to the inhibitory effect of tripeptides
errHELIYON
IF3.6
err2020-06-01
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errAraki, Mitsugu; Kanegawa, Norimasa; Iwata, Hiroaki; Sagae, Yukari; Ito, Keisuke; Masuda, Katsuyoshi; Okuno, Yasushi
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kGCN: a graph-based deep learning framework for chemical structures
err2020-05-12
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errKojima, Ryosuke; Ishida, Shoichi; Ohta, Masateru; Iwata, Hiroaki; Honma, Teruki; Okuno, Yasushi
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Improving the Accuracy of Protein-Ligand Binding Mode Prediction Using a Molecular Dynamics-Based Pocket Generation Approach
err2018-12-04
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PREAI
errAraki, Mitsugu; Iwata, Hiroaki; Ma, Biao; Fujita, Atsuto; Terayama, Kei; Sagae, Yukari; Ono, Fumie; Tsuda, Koji; Kamiya, Narutoshi; Okuno, Yasushi
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Elucidating the modes of action for bioactive compounds in a cell-specific manner by large-scale chemically-induced transcriptomics
err2017-01-10
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errIwata, Michio; Sawada, Ryusuke; Iwata, Hiroaki; Kotera, Masaaki; Yamanishi, Yoshihiro
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