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 January 19, 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 (December 2025)

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

Theoretical Study on the 1:1 Solvation of Triethylphosphine Oxide with the Solvent Molecule -Correlation between Empirical Solvent Parameter AN Based on 31P NMR Chemical Shift and MO Calculations -

Released on J-STAGE: May 10, 2007 | Volume 8 Pages 59-68

Yuriko Abe, Chihiro Kusakabe, Izumi Nakao, Yumi Tanaka, Shinichi Yamabe
3

Utilization of KNApSAcK Family Databases for Developing Herbal Medicine Systems

Released on J-STAGE: May 31, 2016 | Volume 17 Pages 1-7

Sony Hartono Wijaya, Yuki Tanaka, Md. Altaf-Ul-Amin, Aki Hirai Morita, Farit Mochamad Afendi, Irmanida Batubara, Naoaki Ono, Latifah K. Darusman, Shigehiko Kanaya
4

Critical Assessment of Generative Models for de Novo Molecular Structure Generation

Released on J-STAGE: February 17, 2024 | Volume 23 Pages 1-7

Tomoyuki Miyao
5

[Special Issue for Honor Award dedicating to Prof Kimito Funatsu]Relationships of Polymer Properties and Predicting Polymer Properties Based on Monomer Structure Information

Released on J-STAGE: December 26, 2019 | Volume 20 Pages 84-91

Hitoshi Yamano, Tomoyuki Miyao, Naoaki Ono, Aki Morita, Shigehiko Kanaya

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