Tatsuya Yoshizawa 🐤

Tatsuya Yoshizawa

Ph.D. Student / Junior Research Associate

Yokohama City University / RIKEN

About Me

I am currently conducting research on machine-learning applications to drug discovery at the Computational Life Science Laboratory, Graduate School of Medical Life Science, Yokohama City University, and the Laboratory for Structure-Based Molecular Design, RIKEN Center for Integrated Medical Sciences.

Interests
  • Cheminformatics
  • Artificial Intelligence
  • In Silico Drug Discovery
Education

  • Doctoral Program, Graduate School of Medical Life Science

    Yokohama City University

  • Master's Program, Graduate School of Medical Life Science

    Yokohama City University

  • International College of Arts and Sciences

    Yokohama City University

Publications
Satoru Fujii, Yuki Murakami, Tatsuya Yoshizawa, Shoichi Ishida, Nobuo Cho, Masateru Ohta, Teruki Honma, Kazuki Yoshizoe, Masato Sumita, Koji Tsuda, Kei Terayama. Generalizing molecular design via flexible search space control. Communications Chemistry, 2026.
Cite Code DOI
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama. A data-driven generative strategy to avoid reward hacking in multi-objective molecular design. Nature Communications, 16, 2409, 2025.
Cite Code DOI Press Release: A Strategy for Reliable Molecular Design with Generative AI
Shoichi Ishida, Tanuj Aasawat, Masato Sumita, Michio Katouda, Tatsuya Yoshizawa, Kazuki Yoshizoe, Koji Tsuda, Kei Terayama. ChemTSv2: Functional molecular design using de novo molecule generator. WIREs Computational Molecular Science, 13, e1680, 2023.
Cite Code DOI Press Release: AI for Designing Functional Molecules Ranging from Drugs to Materials
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama. Selective Inhibitor Design for Kinase Homologs Using Multiobjective Monte Carlo Tree Search. Journal of Chemical Information and Modeling, 62(22), 5351–5360, 2022.
Cite DOI Commentary
Talks
Tatsuya Yoshizawa, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama. Multi-Objective Optimization of Molecular Properties Integrating Boltz-2 and Pharmacokinetic Prediction. 146th Annual Meeting of the Pharmaceutical Society of Japan. 2026/3/27, 2026.
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama. A generative strategy for reliable data-driven design of functional molecules. The International Chemical Congress of Pacific Basin Societies 2025 2025/12/17, 2025.
Tatsuya Yoshizawa, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama. Molecule Generation with Boltz-2: A Case Study on Kinase Inhibitor Design. CBI Annual Meeting 2025. 2025/10/28, 2025.
Best Poster Award
Tatsuya Yoshizawa, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama. Molecular Generation Using a Diffusion Model-Based Binding Affinity Prediction Method. 53rd Symposium on Structure–Activity Relationships. 2025/9/5, 2025.
Tatsuya Yoshizawa. Introduction to DyRAMO: A Strategy for Reliable Data-Driven Molecular Design. 15th CBI Young Researchers Meeting. 2025/8/21, 2025.
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