Book Chapter · 2026
Personal Academic Website
Daimon Sakaguchi
I am affiliated with the Department of Chemistry and Life Science, Graduate School of Engineering Science, Yokohama National University, and the Physical Organic Chemistry and Molecular Design Laboratory (Gotoh Laboratory). My research seeks to uncover the origins of reaction selectivity using stereoelectronic-state informatics.
- Affiliation
- Yokohama National University
- Research Area
- Reaction selectivity informatics
- Location
- Japan
About
Profile
I study chemical reaction selectivity by combining three-dimensional electronic states, physical organic chemistry, computational chemistry, and data-driven analysis.
About pageResearch
Research Topics
- Stereoelectronic-state informatics
- Prediction and interpretation of reaction selectivity
- Organic reaction analysis using machine learning and computational chemistry
Computational chemistry notes
News
Latest Updates
- Our contributed book chapter in Development of Polymer Materials Using Materials Informatics was published.
- Received an Outstanding Poster Award at the 2026 Spring Meeting of the Society of Computer Chemistry, Japan.
- Our proposal was selected for the MEXT SPReAD program for exploratory AI for Science research.
- Posted a ChemRxiv preprint on predicting site and facial selectivity in ketone reductions.
- Published a study on phenol oxidative homocoupling reactivity in ACS Omega.
- Published a three-dimensional electronic-state analysis of asymmetric ketone reduction in J. Phys. Chem. A.
- Received an Outstanding Presentation Award at the 47th Chemoinformatics Discussion Meeting.
Publications
Selected Publications
Preprint · 2026
Kinetics-Based Framework for Predicting Site- and Facial-Selectivity in Ketone Reductions
2025