Miyao Tomoyuki 宮尾知幸

Researcher Number	20823909
Other IDs
Affiliation (Current)	2025: 奈良先端科学技術大学院大学, データ駆動型サイエンス創造センター, 准教授
Affiliation (based on the past Project Information) *help	2020 – 2024: 奈良先端科学技術大学院大学, データ駆動型サイエンス創造センター, 准教授
Review Section/Research Field	Principal Investigator Transformative Research Areas, Section (II) / Basic Section 62010:Life, health and medical informatics-related Except Principal Investigator Transformative Research Areas, Section (II)
Keywords	Principal Investigator 分子構造生成 / 化学情報学 / 記述子開発 / モデルの統合 / 三次元分子表現 / 定量的構造物性相関 / 分子設計 / モデル統合 / 構造記述子 / 定量的構造活性相関 / 構造生成 / 構造活性相関 / 分子表現 … More Except Principal Investigator … More ベイズ最適化 / フロー反応 / デジタル創薬 / 官能基評価キット / 機械学習 / 有機合成 / データベース / 自動化 / デジタル化 / 情報科学 / 有機合成化学 Less

多様な分子構造の自動設計と有機合成反応の新規表現開発Principal Investigator
- Principal Investigator
  
  宮尾知幸
- Project Period (FY)
  2021 – 2025
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Nara Institute of Science and Technology
Digitalization-driven Transformative Organic Synthesis (Digi-TOS)
- Principal Investigator
  
  大嶋孝志
- Project Period (FY)
  2021 – 2025
- Research Category
  
  Grant-in-Aid for Transformative Research Areas (A)
- Review Section
  
  Transformative Research Areas, Section (II)
- Research Institution
  Kyushu University
Development of Chemical Structure Generation Method Based on Three-dimensional Molecular RepresentationPrincipal Investigator
- Principal Investigator
  
  Miyao Tomoyuki
- Project Period (FY)
  2020 – 2023
- Research Category
  
  Grant-in-Aid for Early-Career Scientists
- Review Section
  
  Basic Section 62010:Life, health and medical informatics-related
- Research Institution
  Nara Institute of Science and Technology

All 2024 2023 2022 2021 2020

All Journal Article Presentation

[Journal Article] Generalizability Improvement of Interpretable Symbolic Regression Models for Quantitative Structure Activity Relationships2024
- Author(s)
  Raku Shirasawa, Katsushi Takaki, Tomoyuki Miyao
- Journal Title
  
  ACS Omega
  
  Volume: 9 Issue: 8 Pages: 9463-9474
- DOI
  10.1021/acsomega.3c09047
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K19922, KAKENHI-ORGANIZER-21H05207
[Journal Article] Interface State Density Prediction between an Insulator and a Semiconductor by Gaussian Process Regression Models for a Modified Process2023
- Author(s)
  Matsunaga Kanta、Harada Takuto、Harada Shintaro、Sato Akinori、Terai Shota、Uenuma Mutsunori、Miyao Tomoyuki、Uraoka Yukiharu
- Journal Title
  
  ACS Omega
  
  Volume: 8 Issue: 30 Pages: 27458-27466
- DOI
  10.1021/acsomega.3c02980
- Peer Reviewed
- Data Source
  KAKENHI-ORGANIZER-21H05207, KAKENHI-PROJECT-23K23226
[Journal Article] Large-scale prediction of activity cliffs using machine and deep learning methods of increasing complexity2023
- Author(s)
  Tamura Shunsuke、Miyao Tomoyuki、Bajorath J?rgen
- Journal Title
  
  Journal of Cheminformatics
  
  Volume: 15 Issue: 1 Pages: 4-4
- DOI
  10.1186/s13321-022-00676-7
- Peer Reviewed / Open Access / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-22KJ2290, KAKENHI-ORGANIZER-21H05207
[Journal Article] Chemometrics Approach Based on Wavelet Transforms for the Estimation of Monomer Concentrations from FTIR Spectra2023
- Author(s)
  Wakiuchi Araki、Jasial Swarit、Asano Shigehito、Hashizume Ryo、Hatanaka Miho、Ohnishi Yu-ya、Matsubara Takamitsu、Ajiro Hiroharu、Sugawara Tetsunori、Fujii Mikiya、Miyao Tomoyuki
- Journal Title
  
  ACS Omega
  
  Volume: 8 Issue: 22 Pages: 19781-19788
- DOI
  10.1021/acsomega.3c01515
- Peer Reviewed
- Data Source
  KAKENHI-ORGANIZER-21H05207
[Journal Article] Ligand-based approaches to activity prediction for the early stage of structure?activity?relationship progression2022
- Author(s)
  Maeda Itsuki、Sato Akinori、Tamura Shunsuke、Miyao Tomoyuki
- Journal Title
  
  Journal of Computer-Aided Molecular Design
  
  Volume: 36 Issue: 3 Pages: 237-252
- DOI
  10.1007/s10822-022-00449-2
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-21H05220, KAKENHI-ORGANIZER-21H05207
[Journal Article] Governing Factors for Carbon Nanotube Dispersion in Organic Solvents Estimated by Machine Learning2022
- Author(s)
  Nonoguchi Yoshiyuki、Miyao Tomoyuki、Goto Chigusa、Kawai Tsuyoshi、Funatsu Kimito
- Journal Title
  
  Advanced Materials Interfaces
  
  Volume: 9 Issue: 7 Pages: 2101723-2101723
- DOI
  10.1002/admi.202101723
- Data Source
  KAKENHI-ORGANIZER-21H05207
[Journal Article] Visualization of Topological Pharmacophore Space with Graph Edit Distance2022
- Author(s)
  Nakano Hiroshi、Miyao Tomoyuki
- Journal Title
  
  ACS Omega
  
  Volume: 7 Issue: 16 Pages: 14057-14068
- DOI
  10.1021/acsomega.2c00173
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-21H05220
[Journal Article] Symbolic regression for the interpretation of quantitative structure-property relationships2022
- Author(s)
  Takaki Katsushi、Miyao Tomoyuki
- Journal Title
  
  Artificial Intelligence in the Life Sciences
  
  Volume: 2 Pages: 100046-100046
- DOI
  10.1016/j.ailsci.2022.100046
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K19922
[Journal Article] Extended Connectivity Fingerprints as a Chemical Reaction Representation for Enantioselective Organophosphorus-Catalyzed Asymmetric Reaction Prediction2022
- Author(s)
  Asahara Ryosuke、Miyao Tomoyuki
- Journal Title
  
  ACS Omega
  
  Volume: 7 Issue: 30 Pages: 26952-26964
- DOI
  10.1021/acsomega.2c03812
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PLANNED-21H05220
[Journal Article] Prediction of Reaction Yield for Buchwald‐Hartwig Cross‐coupling Reactions Using Deep Learning2021
- Author(s)
  Sato Akinori、Miyao Tomoyuki、Funatsu Kimito
- Journal Title
  
  Molecular Informatics
  
  Volume: 41 Issue: 2 Pages: 2100156-2100156
- DOI
  10.1002/minf.202100156
- Peer Reviewed
- Data Source
  KAKENHI-PLANNED-21H05220
[Journal Article] Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representations2021
- Author(s)
  Sato Akinori、Miyao Tomoyuki、Jasial Swarit、Funatsu Kimito
- Journal Title
  
  Journal of Computer-Aided Molecular Design
  
  Volume: 35 Issue: 2 Pages: 179-193
- DOI
  10.1007/s10822-020-00361-7
- NAID
  120007166833
- Peer Reviewed
- Data Source
  KAKENHI-PROJECT-20K19922
[Journal Article] Ranking-Oriented Quantitative Structure?Activity Relationship Modeling Combined with Assay-Wise Data Integration2021
- Author(s)
  Matsumoto Katsuhisa、Miyao Tomoyuki、Funatsu Kimito
- Journal Title
  
  ACS Omega
  
  Volume: 6 Issue: 18 Pages: 11964-11973
- DOI
  10.1021/acsomega.1c00463
- Peer Reviewed / Open Access
- Data Source
  KAKENHI-PROJECT-20K19922
[Presentation] 類似の立体配座をとる分子骨格生成2023
- Author(s)
  Kanta Matsunaga, Tomoyuki Miyao
- Organizer
  日本薬学会第144年会
- Data Source
  KAKENHI-PLANNED-21H05220
[Presentation] Prediction of Reaction Yield for High Throughput Experimental Data Sets by Deep Learning2023
- Author(s)
  Akinori Sato, Tomoyuki Miyao
- Organizer
  第8回ケモインフォマティクス秋の学校
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-21H05220
[Presentation] Machine Learning Algorithms for Organic Chemistry2023
- Author(s)
  Tomoyuki Miyao
- Organizer
  The 2nd International Symposium on Digitalization-driven Transformative Organic Synthesis
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-21H05220
[Presentation] Prediction of Reaction Yield for High Throughput Experimental Data Sets by Deep Learning2023
- Author(s)
  Akinori Sato, Tomoyuki Miyao
- Organizer
  The 2nd International Symposium on Digitalization-driven Transformative Organic Synthesis
- Int'l Joint Research
- Data Source
  KAKENHI-PLANNED-21H05220
[Presentation] 深層学習を用いた化学反応の収率予測モデルの構築2022
- Author(s)
  佐藤彰准, 宮尾知幸
- Organizer
  第45回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PLANNED-21H05220
[Presentation] Global Interpretation of Regression Models for Quantitative Structure-Property Relationship2022
- Author(s)
  Tomoyuki Miyao
- Organizer
  第7回ケモインフォマティクス秋の学校
- Invited / Int'l Joint Research
- Data Source
  KAKENHI-PROJECT-20K19922
[Presentation] リン酸不斉触媒の選択性予測モデルのための分子表現と解釈2022
- Author(s)
  浅原崚佑, 宮尾知幸
- Organizer
  第45回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PLANNED-21H05220
[Presentation] 深層学習を用いた化学反応の収率予測モデルの構築2021
- Author(s)
  佐藤彰准, 宮尾知幸
- Organizer
  第44回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PLANNED-21H05220
[Presentation] 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2020
- Author(s)
  佐藤彰准, 宮尾知幸, Swarit Jasial, 船津公人
- Organizer
  第43回ケモインフォマティクス討論会
- Data Source
  KAKENHI-PROJECT-20K19922

1. 大嶋孝志 (10313123)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
2. 小池隆司 (30451991)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
3. 笹野裕介 (10636400)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
4. 高須清誠 (10302168)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
5. 安田誠 (40273601)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
6. 山口潤一郎 (00529026)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
7. 菅誠治 (50291430)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
8. 跡部真人 (90291351)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
9. 外輪健一郎 (00336009)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
10. 滝澤忍 (50324851)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
11. 椴山儀恵 (80447127)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
12. 矢島知子 (10302994)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
13. 小島諒介 (70807651)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
14. 武田和宏 (60274502)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results
15. 松原誠二郎 (90190496)

# of Collaborated Projects: 1 results

# of Collaborated Products: 1 results
16. 矢田陽 (70619965)

# of Collaborated Projects: 1 results

# of Collaborated Products: 0 results

Miyao Tomoyuki 宮尾 知幸

Research Projects

Research Products

Co-Researchers

多様な分子構造の自動設計と有機合成反応の新規表現開発Principal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Digitalization-driven Transformative Organic Synthesis (Digi-TOS)

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

Development of Chemical Structure Generation Method Based on Three-dimensional Molecular RepresentationPrincipal Investigator

Principal Investigator

Project Period (FY)

Research Category

Review Section

Research Institution

[Journal Article] Generalizability Improvement of Interpretable Symbolic Regression Models for Quantitative Structure Activity Relationships2024

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Interface State Density Prediction between an Insulator and a Semiconductor by Gaussian Process Regression Models for a Modified Process2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Large-scale prediction of activity cliffs using machine and deep learning methods of increasing complexity2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Chemometrics Approach Based on Wavelet Transforms for the Estimation of Monomer Concentrations from FTIR Spectra2023

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Ligand-based approaches to activity prediction for the early stage of structure?activity?relationship progression2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Governing Factors for Carbon Nanotube Dispersion in Organic Solvents Estimated by Machine Learning2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Visualization of Topological Pharmacophore Space with Graph Edit Distance2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Symbolic regression for the interpretation of quantitative structure-property relationships2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Extended Connectivity Fingerprints as a Chemical Reaction Representation for Enantioselective Organophosphorus-Catalyzed Asymmetric Reaction Prediction2022

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Prediction of Reaction Yield for Buchwald‐Hartwig Cross‐coupling Reactions Using Deep Learning2021

Author(s)

Journal Title

DOI

Data Source

[Journal Article] Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representations2021

Author(s)

Journal Title

DOI

NAID

Data Source

[Journal Article] Ranking-Oriented Quantitative Structure?Activity Relationship Modeling Combined with Assay-Wise Data Integration2021

Author(s)

Miyao Tomoyuki 宮尾知幸