Experience
- 2020/04 - 2022/3, Daikin Industries, Ltd.
- Structure Development of Small Molecules for Materials:
- Investigated the synthesis of small molecules to obtain polymers with desired properties through communication with customer polymer manufacturers and internal teams responsible for polymer synthesis and evaluation.
- Process Investigation:
- Investigated processes for synthesizing building blocks using the company’s fluorination technology.
- 2022/04 - present (Expected Graduation: March 2025), Institute of Science Tokyo (formerly Tokyo Institute of Technology):
- Optimization of Compound Structures with Synthesis Route Generation
- Leveraged expertise in organic chemistry to explicitly handle reactions applied to raw materials, generating synthesis routes while optimizing compound structures against evaluation functions.
- Developed a framework integrating product prediction of chemical reactions using Transformer, the core structure of large language models, with Monte Carlo tree search, an optimization algorithm.
- Structure Generation of Compounds with Specific Interactions for Target Proteins
- Developed a compound generation model that takes interaction vectors as input, obtained by calculating the strength of interactions with amino acid residues in the pocket of target proteins.
- Large Language Model Drug Discovery Competition (LLM Drug Discovery)
- Participated and won the competition for proposing compounds predicted to have high binding affinity for target proteins using large language models.
- Collaborative Research with Companies and Universities
- Investigated the generation of compounds with high docking scores for target proteins using existing compound generation models.
- Collaborated with a laboratory specializing in organic synthetic chemistry to investigate the generation of compounds with high docking scores for target proteins.
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