[A1456-3am] 02. 理論化学・情報化学・計算化学

11:20 〜 11:30英語

[A1456-3am-14] Multicomponent Reaction Optimization with Gaussian Processes on Fragment Count Descriptors

○Philippe Gantzer¹, Vitor Alcantara Fernandes¹, Haruto Yamato¹, Tynchtyk Amatov², Nobuya Tsuji¹, Benjamin List^1,2, Pavel Sidorov¹ (1. Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, 2. Max-Planck-Institut für Kohlenforschung, Mülheim an der Ruhr, Germany)

キーワード：

machine learning、bayesian optimization、gaussian processes、stereoselectivity、catalysis