[Published online Journal of Computer Chemistry, Japan Vol.16, 155-156, by J-STAGE]
<Title:> 植物由来の香料化合物の分類に関する電子状態インフォマティクス研究
<Author(s):> 杉本 学, 空閑 瞳
<Corresponding author E-Mill:> sugimoto(at)kumamoto-u.ac.jp
<Abstract:> We carried out electronic structure calculations on molecules having scent, and evaluated their electronic descriptors. Based on the calculated descriptors, a correlation between electronic similarities and scents of the molecules was investigated. Through this analysis, we found that a good correlation exists between these characteristics.
<Keywords:> キーワード：電子状態インフォマティクス, 電子的記述子, 電子的類似性, 香り, 香料
<URL:> https://www.jstage.jst.go.jp/article/jccj/16/5/16_2017-0066/_html/-char/ja/
<Title:> 植物由来の香料化合物の分類に関する電子状態インフォマティクス研究
<Author(s):> 杉本 学, 空閑 瞳
<Corresponding author E-Mill:> sugimoto(at)kumamoto-u.ac.jp
<Abstract:> We carried out electronic structure calculations on molecules having scent, and evaluated their electronic descriptors. Based on the calculated descriptors, a correlation between electronic similarities and scents of the molecules was investigated. Through this analysis, we found that a good correlation exists between these characteristics.
<Keywords:> キーワード：電子状態インフォマティクス, 電子的記述子, 電子的類似性, 香り, 香料
<URL:> https://www.jstage.jst.go.jp/article/jccj/16/5/16_2017-0066/_html/-char/ja/
