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 July 16, 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 (June 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 a Prediction Model for Mutagenicity - Validation of Ames Test Data

Released on J-STAGE: May 19, 2012 | Volume 13 Pages 20-28

Masamoto Arakawa, Kimito Funatsu
2

Pro-R/Pro-S-Descriptors Specified by RS-Diastereotopic Relationships, Not by Stereoheterotopic Relationships

Released on J-STAGE: August 12, 2009 | Volume 10 Pages 76-95

Shinsaku Fujita
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

Theoretical Study on Fluorination Mechanism of 2-Hydroky-3-phenylalkanoate with DAST.

Released on J-STAGE: August 03, 2000 | Volume 1 Pages 47-56

Shohei Fukuda, Shinsuke Yamato, Kenzi Hori

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