[A204-4am] 02. Theoretical Chemistry, Chemoinformatics, and Computational Chemistry

[A204-4am-12] Prediction and Analysis of NMR Nuclear Magnetic Shielding Constants by Machine Learning with Structural and Electronic Descriptors

^○Yohtaro Ogawa¹, Masao Hayami², Masahiko Nakano^2,3, Junji Seino¹ (1. School of Advanced Science and Engineering, Waseda Univ., 2. WISE, Waseda Univ., 3. Mitsubishi Chemical Holdings Corp.)

[Lang.] Japanese

Keywords:Nuclear Magnetic Resonance (NMR) Spectrum, Machine Learning, Quantum Chemical Calculation, Structural and Electronic Descriptors, Materials Informatics