Journal of Computer Aided Chemistry

Journal of Computer Aided Chemistry

Published by Division of Chemical Information and Computer Sciences The Chemical Society of Japan

194 registered articles
(updated on September 04, 2025)

Online ISSN : 1345-8647
ISSN-L : 1345-8647

JOURNAL PEER REVIEWED FREE ACCESS

Formation of machine learning models of high-refractive index organic materials through high-throughput quantum chemical calculations Hajime Mori, Asami Yoshii, Munenori Yamashita

View all articles in current issue

Most viewed articles (August 2025)

1

Electron Transfer at Dye-sensitized Solar Cells. 2.

Released on J-STAGE: February 02, 2002 | Volume 3 Pages 15-36

Tetsuji Ogawa, Yoshihiro Ishikawa, Osamu Kitao, Shigenori Tanaka, Ching-ju Wen, Junichiro Otomo, Hiroshi Takahashi, Hironori Arakawa
2

Theoretical Study on Reaction Mechanism of Curing Reaction of Epoxy-Imidazole Resin

Released on J-STAGE: February 17, 2024 | Volume 23 Pages 35-42

Ryusuke Mitani, Hidetoshi Yamamoto, Michinori Sumimoto
3

Classification of metabolites by metabolic pathways concerning terpenoids, phenylpropanoids, and polyketide compounds based on machine learning

Released on J-STAGE: February 17, 2024 | Volume 23 Pages 25-34

Yuri Koide, Daiki Koge, Shigehiko Kanaya, Md. Altaf-Ul-Amin, Ming Huang, Aki Hirai Morita, Naoaki Ono
4

[Dedicated to Prof. T. Okada and Prof. T. Nishioka: data science in chemistry]Chemical Annotation of ESI-MS/MS Spectral Data

Released on J-STAGE: August 01, 2017 | Volume 18 Pages 15-23

Takaaki Nishioka, Hisayuki Horai
5

Erdős Numbers of Japanese Informational Chemists

Released on J-STAGE: October 02, 2013 | Volume 14 Pages 36-43

Akifumi Oda

Favorites & Alerts

Top