Publications

Peer-reviewed Papers

1. [6]

   Ue, T., Sato, A., Miyao, T.. "Analog Accessibility Score (AAscore) for Rational Compound Selection", J. Chem. Inf. Model., 64(24), 9350–9360, 2024.

2. [5]

   Sato, A., Asahara, R., Miyao, T.. "Chemical Graph-Based Transformer Models for Yield Prediction of High-Throughput Cross-Coupling Reaction Datasets", ACS Omega, 9(39), 40907–40919, 2024. First author

3. [4]

   Matsunaga, K., Harada, T., Harada, S., Sato, A., et al.. "Interface State Density Prediction between an Insulator and a Semiconductor by Gaussian Process Regression Models for a Modified Process", ACS Omega, 8(30), 27458–27466, 2023.

4. [3]

   Maeda, I., Sato, A., Tamura, S., Miyao, T.. "Ligand-based Approaches to Activity Prediction for the Early Stage of Structure-Activity-Relationship Progression", J. Comput. Aided Mol. Des., 36, 237–252, 2022.

5. [2]

   Sato, A., Miyao, T., Funatsu, K.. "Prediction of Reaction Yield for Buchwald-Hartwig Cross-coupling Reactions Using Deep Learning", Mol. Inf., 41(2), 2022. First author

6. [1]

   Sato, A., Miyao, T., Jasial, S., et al.. "Comparing Predictive Ability of QSAR/QSPR Models using 2D and 3D Molecular Representations", J. Comput. Aided Mol. Des., 35, 179–193, 2021. First author

Conference Presentations

International Conferences & Symposia

1. [2]

   Akinori Sato, Tomoyuki Miyao. "Prediction of Reaction Yield for High Throughput Experimental Data Sets by Deep Learning", The 2nd International Symposium on Digitalization-driven Transformative Organic Synthesis (poster), Hyogo, Japan, 2023-12.

2. [1]

   Akinori Sato, Tomoyuki Miyao. "Prediction of Reaction Yield for High Throughput Experimental Data Sets by Deep Learning", 8th Autumn School of Chemoinformatics (poster), Nara, Japan, 2023-11.

Domestic Conferences

1. [7]

   松永幹太, 上沼睦典, 佐藤彰准, 浦岡行治, 宮尾知幸. "プロセス最適化のためのガウス過程回帰手法：絶縁体と半導体間の界面準位密度予測の事例", 化学工学会第54回秋季大会（口頭）, 福岡, 2023-09.

2. [6]

   佐藤彰准, 宮尾知幸. "深層学習を用いた化学反応の収率予測モデルの構築", 第45回ケモインフォマティクス討論会（口頭）, 福岡, 2022-11.

3. [5]

   前田樹, 佐藤彰准, 田村俊介, 宮尾知幸. "インシリコスクリーニングのための不均衡データにより構築した機械学習手法の比較", 日本薬学会第142年会（口頭）, 2022-03.

4. [4]

   佐藤彰准, 宮尾知幸. "深層学習を用いた化学反応の収率予測モデルの構築", ケモインフォマティクス討論会（口頭）, オンライン, 2021-12.

5. [3]

   前田樹, 田村峻佑, 佐藤彰准, 宮尾知幸. "仮想スクリーニングにおける多数の不活性化合物の効率的利用", 日本コンピュータ化学会（口頭）, オンライン, 2021-06.

6. [2]

   佐藤彰准, 宮尾知幸, 船津公人. "二次元分子表現と三次元分子表現を用いたQSAR/QSPRモデルの予測能力の比較", ケモインフォマティクス討論会（口頭）, オンライン, 2020-12.

7. [1]

   佐藤彰准, 宮尾知幸, 船津公人. "深層学習を用いたBuchwald-Hartwigクロスカップリング反応の収率予測", 日本コンピュータ化学会（口頭）, オンライン, 2020-11.

Patents

External Funding

• 2023 JSPS Research Fellowship for Young Scientists (DC) — "Development and application of deep learning-based reaction yield prediction models" (PI, JPY 1.8M)

Outreach & Industry Collaboration

• 2025-08 Akinori Sato, "Reaction yield prediction and data extraction from patents", DSC Summer Seminar
• 2024-08 Akinori Sato, "Applications of AI in organic synthesis", DSC Summer Seminar

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