[P2-3pm] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

Japanese

[P2-3pm-27] Bayesian optimization of reaction conditions using large-scale pretrained chemical reaction models

○Kazumasa Okamoto^1,2, Tatsuya Sagawa^1,2, Ryosuke Kojima^1,2 (1. Kyoto University, 2. RIKEN)

Keywords:

Bayesian Optimization,Large-scale Reaction Models,ReactionT5,Organic Chemical Reactions,Reaction Condition Screening