Presentations at the 47th Chemoinformatics Discussion
Our representatives gave presentations at the 47th Chemoinformatics Discussion, held from December 17 to 18, 2024.
Presentation Summary
47th Chemoinformatics Discussion
Venue: Kanazawa Chamber of Commerce and Industry Hall, Kanazawa, Ishikawa, Japan
Dates: December 17–18, 2024
December 17, 2024, 13:00–14:30
P42
“Quantitative comparison between reaction rates derived from quantum chemical calculations and experimental validation”
Toru Yamaguchi1, Kenji Hori1,2,3
1 Transition State Technology Co. Ltd., Japan. 2 National Institute of Advanced Industrial Science and Technology, Japan. 3 Yamaguchi University, Japan.
December 17, 2024, 13:00–14:30
P43
“Prediction of activation free energies for chemical reactions using counter-propagation networks”
Yujiro Matsuo1, Toru Yamaguchi1, Kimito Funatsu2, Kenji Hori1,3,4
1 Transition State Technology Co. Ltd., Japan. 2 Nara Institute of Science and Technology, Japan. 3 National Institute of Advanced Industrial Science and Technology, Japan. 4 Yamaguchi University, Japan.