Sparse identification of chemical reaction mechanisms from limited concentration profiles

2025/01/01 by Shun Hayashi · 1 voice
Biochemistry, Genetics and Molecular Biology · Chemistry · #Gene Regulatory Network Analysis #Mass Spectrometry Techniques and Applications #Protein Structure and Dynamics

paper · pdf · doi:10.1039/d5dd00293a

openalex publication_date 2025/01/01 · openalex created_date 2025/10/10 · openalex updated_date 2026/06/22

Abstract

A sparse identification approach was employed to discover chemical reaction mechanisms from experimental concentration profiles, providing accurate and interpretable kinetic models while preventing overfitting.

Citations

• CMA-ES for Hyperparameter Optimization of Deep Neural Networks
• Simplest Mechanism Builder Algorithm (SiMBA): An Automated Microkinetic Model Discovery Tool

Discussions

• A paper by Dr Shun Hayashi (林 峻) at the National Museum of Nature and Science was recently published in Digital Discovery🎉 doi.org/10.1039/D5DD... [bsky, 0 points, 0 comments]