Peer-Reviewed Publication

  1. S. Shibayama, K. Funatsu, Investigation of Preprocessing and Validation Methodologies for PAT: Case Study of the Granulation and Coating Steps for the Manufacturing of Ethenzamide Tablets. AAPS PharmSciTech, 22, 41, 2021, webpage.
  2. S. Shibayama, K. Funatsu, Industrial Case Study: Identification of Important Substructures and Exploration of Monomers for the Rapid Design of Novel Network Polymers with Distributed Representation, Bulletin of the Chemical Society of Japan, 94 (1), 112-121, 2021, webpage.
  3. S. Shibayama, G. Marcou, D. Horvath, I. I. Baskin, K. Funatsu, A. Varnek, Molecular Informatics Application of the mol2vec technology to large-size data visualization and analysis, Molecular Informatics, 39 (2020) 1900170. doi:10.1002/minf.201900170.
  4. S. Shibayama, H. Kaneko, K. Funatsu, Formulation of excess absorption in infrared spectra by numerical decomposition to allow effective process monitoring, Computers & Chemical Engineering, 113, 86-97, 2018.
  5. S. Shibayama, H. Kaneko, K. Funatsu, Iterative Optimization Technology Combined with Wavelength Selection Based on Excess Absorption for a Process Analytical Technology Calibration-Minimum Approach, Chemometrics and Intelligent Laboratory Systems, 156, 137-147, 2016.
  6. S. Shibayama, H. Kaneko, K. Funatsu, A Novel Calibration-Minimum Method for Prediction of Mole Fraction in Non-Ideal Mixture, AAPS PharmSciTech, 2016.

Peer-Reviewed Presentation

  1. S. Shibayama, K. Funatsu, Dirichlet-PLS – mathematically reasonable prediction of concentrations, ANS 2020, Khon Kaen, Thai, Feb. 13-14, 2020
  2. S. Shibayama, K. Funatsu, Improvement of prediction errors based on standardized infrared spectra for a calibration-free approach, APCChE Sapporo, Hokkaido, Sep. 23-27, 2019
  3. S. Shibayama, Kimito Funatsu, Scaling of excess absorption for accurate composition prediction with a minimal calibration method, NIR2019, the Gold Coast, Australia, Sep. 15-20, 2019
  4. S. Shibayama, C. Nakamoto, T. Shimizu, H. Takayanagi, M. Nishida, Study of classifier construction for business mail with distributed representation/分散表現を用いたビジネスメール自動分類器の検討, in: Software Engineering Symposium in Japan September 2018, pp. 257–258.
  5. S. Shibayama, Kimito FUNATSU, (poster) Applicability Domains of a Minimal-Calibration Model for Effective Online Monitoring of Pure Components’ Concentrations in the Pharmaceutical Continuous Manufacturing Processes, PSE2018, proceedings, San Diego, Jul. 1-5, 2018

Publication

柴山翔二郎, 船津公人, 「連続生産実現に向けたキャリブレーションフリー手法の理論と実装」（output of the ISPE Facility of Future working group）PHARM TECH JAPAN, 2021 February (Japanese tech report)

Presentation

  1. Design of functional polymer resin with a small-sized dataset/少数データを活用した機能性ポリマー樹脂の設計, Shojiro Shibayama, Kimito Funatsu (Poster), Cheminformatics Autumn School in Japan, Nara, Japan, November 2019.
  2. Design of functional polymer resin with a small-sized dataset/少数データを活用した機能性ポリマー樹脂の設計, Shojiro Shibayama, Kimito Funatsu, CICSJ 42th, Tokyo, Japan, October 2019.
  3. Development of a concentration prediction method based on deconvolution of infrared spectra for effective process monitoring in continuous processes/連続プロセスの効率的なオンライン監視のための赤外スペクトル分解手法を 利用した濃度予測手法の開発, Shojiro Shibayama, Kimito FUNATSU, SICE 61th, Japan. November 2018.
  4. Optimization of monomer compositions with non-linear regression model for functional polymer design/機能性ポリマー設計のための非線形回帰手法を用いたモノマー配合比の最適化, Shojiro Shibayama, Kimito FUNATSU, the 50th autumn meeting by the Society of Chemical Engineering Japan.
  5. Development of a concentration prediction method using a statistical model and a small number of calibration samples/少数のモデル構築用データから利用可能な赤外スペクトルを入力に持つ濃度予測手法の開発, Shojiro Shibayama, Kimito FUNATSU. The 83rd annual meeting by the Society of Chemical Engineering Japan.
  6. 連続プロセスの効率的なオンライン監視のための波長選択および無相関化を組み合わせた濃度予測手法の開発 柴山 翔二郎，船津 公人. 第60回自動制御連合講演会(SICE 60th), Japan. November 2017. (優秀発表賞)
  7. 連続プロセスの効率的なオンライン監視のための波長選択および無相関化を組み合わせた濃度予測手法の開発 柴山 翔二郎, 船津 公人. The 49th autumn conference by the Society of Chemical Engineering Japan. September 2017.
  8. 赤外スペクトルを用いたプロセス監視のための波長選択手法 柴山 翔二郎, 金子 弘昌, 船津 公人. The 48th autumn conference of Japan Chemical Engineering Society, Japan. September 2016.
  9. 低コストで運用可能な赤外分光法を用いたプロセス監視手法の開発 柴山 翔二郎、金子 弘昌、船津 公人. The 22th PDA annual conference, Japan. December 2015.
  10. 赤外スペクトルデータを用いた混合溶液における純物質の濃度予測モデル構築手法の開発(ポスター) 柴山 翔二郎、金子 弘昌、船津 公人(Poster). The 38th Chemoinformatics conference, Japan. October 2015.

Award

  1. CICSJ 42th, Excellent Oral Presentation Award (Student)/第42回ケモインフォマティクス討論会 学生優秀発表賞, 2019
  2. 第60回自動制御連合講演会, 優秀発表賞, 2017

Book (Japanese)

  1. 実践 マテリアルズインフォマティクス

Contributing work

  1. Published and maintaining a repo on github for machine learning tool in Matlab.
  2. Launched and contributed to Instruction of chemoinformatics
  3. Modified and transported the app from a server to another: HIKARI Lab Inc. website
  4. Launched Funatsu Lab website
  5. Launched Ttime!web. Migrated an older version of the site to a new page hosted by Github on 2020 March.
  6. Implement functions of Cu-hacker
  7. Rent a server and launched My blog about IT contents
  8. Launched Kagaku-ya

Pull requests on Github

  1. UGTM - Generative Topograhic Mapping in Python; Implemented inverse_transform method

Online articles

  1. Qiita (in Japanese)
  2. Github Gist