The 103rd CSJ Annual Meeting

The 103rd CSJ Annual Meeting

Mar 22 - Mar 25, 2023Tokyo University of Science
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CSJ Annual Meeting
The 103rd CSJ Annual Meeting

The 103rd CSJ Annual Meeting

Mar 22 - Mar 25, 2023Tokyo University of Science

[K202-4am-05]Development of automatic prediction method for molecular structure based on spectral data

○Takumi Kumagai1, Yuya Nakajima2, Junji Seino1,2(1. Waseda Univ. of Advanced Science and Engineering, 2. Waseda Research Institute for Science and Engineering)
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[Lang.] Japanese

Keywords:

automatic structure prediction,spectral data,quantum chemical calculation,molecular generator,cheminformatics

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