The Journal of Computer Chemistry, Japan, Vol. 5, No. 2 (2006)

Review

• Chemoinformatics - An Important Scientific Discipline

  Johann GASTEIGER and Kimito FUNATSU

General Papers

• Automatic Generation of Synthetic Routes from Carbohydrates

  Toshiyuki NONAKA, Kiyohiko TAJIMA, Hideo HATTORI and Kunio ARAI

• Development of a High Resolution Molecular Spectroscopy Literature DataBase: HRMSDB

  Eizi HIROTA, Akifumi OIKAWA, Hideto KANAMORI, Tomoko FUKUDA and Umpei NAGASHIMA

• Molecular Dynamics Study on the Activation Mechanism of p47^phox in the Auto-Inhibited Form

  Yoko WATANABE, Hideyuki TSUBOI, Michihisa KOYAMA, Momoji KUBO, Carlos A. DEL CARPIO, Eiichiro ICHIISHI, Masahiro KOHNO and Akira MIYAMOTO

• Theoretical and Experimental Study of Bis-adducted trans-1 and e isomers of Bis(4-methoxyphenyl)methano[60]fullerene

  Tatsuo TOIDA, Kozue SOYA, Katsumi Uchida, Tadahiro ISHII and Hirofumi YAJIMA

• Discrete Expressions for the Water Purification in a River, Based on Neural Network Calculations under Incomplete Data Set

  Tomoo AOYAMA, Junko KAMBE and Umpei NAGASHIMA

Techinical Paper

• Development of the Total System ToMoCo for Molecular Design

  Masamoto ARAKAWA and Kimito FUNATSU