Journal of Computer Aided Chemistry

Now Access to Vol.8 (2007)

Current Issue

Molecular Mechanics and Molecular Orbital Simulations on Specific Interactions between Peroxisome Proliferator-Activated Receptor PPAR and Plasticizers
Shingo Iwabuchi, Tomohiko Nakagawa, Haruhiko Nakamura, Yoko Yamaguchi, Tamie Nasu and Noriyuki Kurita

pp1-11　　Web Release Date:20070118　　[Abstract Full (in Japanese)(pdf 310 K) ]

An Attempt Method for Developing New Synthetic Routes by Fusing Computational Chemistry and Chemoinformatics: Syntheses of Ethyl and Benzyl Methacrylates
Kenzi Hori, Hirotaka Sadatomi, Katsuhiko Okano, Michinori Sumimoto, Atsuo Miyamoto, Saori Hayashi and Hidetoshi Yamamoto

pp12-18　　Web Release Date:20070118　　[Abstract Full (pdf 487 K) ]

Best Article of 2005 (vol.6)

A chemi-informatic study to infer experimental yields of SNAr reactions using theoretically calculated energies related to the reaction mechanism.
Katsuhiko Okano, Kouji Satoh, Hideo Takahasi and Kenzi Hori

pp57-66　　Web Release Date:20051028　　[Abstract Full (in Japanese)(pdf 1011K) ]

Journal of Computer Aided Chemistry is an electronic journal published by
Division of Chemical Information and Computer Science, The Chemical Society of Japan.
© Copyright 2005-2007 Division of Chemical Information and Computer Science, The Chemical Society of Japan. All rights reserved.