[A1432-1pm] Data-Driven Chemical Synthesis

2:50 PM - 3:20 PM JST(5:50 AM - 6:20 AM UTC)JapaneseInvited Lecture

[A1432-1pm-03] Application of Chemoinformatics and Quantum Chemistry for Reaction Process Design

○Toru Yamaguchi¹, Yuujirou Matsuo¹, Kenji Hori^1,2,3, Kimito Funatsu⁴ (1. TS Tech. Co. Ltd., 2. AIST, 3. Yamaguchi Univ., 4. NAIST)

Keywords:

Digital Driven Chemistry,Transition State Database,TS Motif Method,Self-organization Map,Kinetics Simulation