[K202-4am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[K202-4am-06] Classification of atoms considering surrounding environment by machine learning and its analysis

^○Takuto Ohmura¹, Yuya Nakajima², Junji Seino^1,2 (1. Waseda Univ. of Advanced Science and Engineering, 2. Waseda Research Institute for Science and Engineering)

[Lang.] Japanese

Keywords:machine Learning, classification, structural and electronic descriptors, quantum chemical calculation, cheminformatics