Iwata Hiroaki

Affiliation and department：

Research field (3)： Biological, health, and medical informatics , Pharmaceuticals - chemistry and drug development , Systems genomics

Research keywords (3)：バイオインフォマティクス , ケモインフォマティクス , AI創薬

Research theme for competitive and other funds (5)：

2024 - 2026 潜在空間から生成された化合物評価のためのAIモデル構築
2022 - 2025 非酵素的翻訳後修飾の可視化から骨格筋の老化を「見る」
2020 - 2023 苦味受容体におけるAI・シミュレーション・進化解析の融合解析フレームワークの構築
2019 - 2022 CDKN3 as a new target of anti-cancer treatment overcoming the resistance to cytotoxic chemotherapy
2018 - 2020 最適化アルゴリズムを用いたドラッガブルポケット構造の高速探索手法の開発

Papers (26)：

Hiroaki Iwata, Yoshihiro Hayashi, Takuto Koyama, Aki Hasegawa, Kosuke Ohgi, Ippei Kobayashi, Yasushi Okuno. Feature extraction of particle morphologies of pharmaceutical excipients from scanning electron microscope images using convolutional neural networks. International Journal of Pharmaceutics. 2024. 653. 123873-123873
Yoshinobu Igarashi, Ryosuke Kojima, Shigeyuki Matsumoto, Hiroaki Iwata, Yasushi Okuno, Hiroshi Yamada. Developing a GNN-based AI model to predict mitochondrial toxicity using the bagging method. The Journal of Toxicological Sciences. 2024. 49. 3. 117-126
Hiroaki Iwata, Taichi Nakai, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yasushi Okuno. VGAE-MCTS: a New Molecular Generative Model combining Variational Graph Auto-Encoder and Monte Carlo Tree Search. Journal of chemical information and modeling, accepted. 2023
Takuto Koyama, Shigeyuki Matsumoto, Hiroaki Iwata, Ryosuke Kojima, Yasushi Okuno. Improving Compound-Protein Interaction Prediction by Self-Training with Augmenting Negative Samples. Journal of Chemical Information and Modeling. 2023. 63. 15. 4552-4559
Hiroaki Iwata, Yoshihiro Hayashi, Aki Hasegawa, Kei Terayama, Yasushi Okuno. Classification of scanning electron microscope images of pharmaceutical excipients using deep convolutional neural networks with transfer learning. International Journal of Pharmaceutics: X. 2022. 4. 100135-100135

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MISC (6)：

Hiroaki Iwata. Application of <i>in Silico</i> Technologies for Drug Target Discovery and Pharmacokinetic Analysis. Chemical and Pharmaceutical Bulletin. 2023. 71. 6. 398-405
Hiroaki Iwata, Ryosuke Kojima, Yasushi Okuno. AIM in Pharmacology and Drug Discovery. Artificial Intelligence in Medicine. 2021. 1-9
種石慶, 岩田浩明, 小島諒介, 奥野恭史. 創薬におけるAIの可能性. CICSJ Bulletin (Web). 2017. 35. 3. 202(J-STAGE)
Hiroaki Iwata, Yasushi Okuno. Prediction of target proteins using compound-protein-phenotype multi-layer model. Proceedings of the Symposium on Chemoinformatics. 2016. 39th. 0. ROMBUNNO.Y1(J-STAGE)
Hamanaka Masatoshi, Taneishi Kei, Iwata Hiroaki, Okuno Yasushi. Prediction of compound-protein interactions based on deep learning methods. Proceedings of the Symposium on Chemoinformatics. 2015. 2015. 0. 46-49

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Books (11)：

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Lectures and oral presentations (15)：

創薬開発プロセスへのIT技術適用
(一般社団法人製剤機械技術学会, 第30回講演会 2022)
Machine learning-based method for integrating phenotypic and target-based approaches in drug discovery
(2021 International Chemical Congress of Pacific Basin Societies (Pacifichem 2021) 2021)
創薬プロセス効率化のためのインフォマティクス
(第4回アドバンス・シミュレーション・セミナー 2021)
AIによる創薬開発プロセスの効率化
(一般社団法人製剤機械技術学会, 国際委員会勉強会 2021)
Application of artificial intelligence for drug repositioning
(第93回薬理学会 2020)

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Committee career (2)：

Awards (4)：

2021/12 - CERTIFICATE of OUTSTANDING EARLY CAREER ACHIEVEMENT IN RECOGNITION OF CONTRIBUTIONS MADE TO THE QUALITY OF THE JOURNAL
2021/04 - 公益信託医用薬物研究奨励富岳基金受賞
2014/10 - 第3回生命医薬情報学連合大会 IIBMP2014 Excellent Poster Award
2013/09 - Computational Biology Research Center Workshop 2013 1st POSTER AWARD

Association Membership(s) (6)：

日本化学会ケモインフォマティクス部会 , 日本薬物動態学会 , 薬剤学会 , 日本進化学会 , 薬学会 , CBI学会

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