Journal of Computer Aided Chemistry

Journal of Computer Aided Chemistry

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

194 registered articles
(updated on August 30, 2026)

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

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Most viewed articles (July 2026)

1

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
2

Development of the computer software

Released on J-STAGE: February 14, 2006 | Volume 6 Pages 90-96

Masamoto Arakawa, Yoshiro Yamada, Kimito Funatsu
3

Extended Regression Modeling of the Toxicity of Phenol Derivatives to Tetrahymena pyriformis Using the Electronic-Structure Informatics Descriptor

Released on J-STAGE: December 15, 2021 | Volume 22 Pages 17-22

Algafari Bakti Manggara, Manabu Sugimoto
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

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

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