Proceedings of the Symposium on Chemoinformatics

Proceedings of the Symposium on Chemoinformatics

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

973 registered articles
(updated on January 07, 2026)

CONFERENCE PROCEEDINGS FREE ACCESS

43th Symposium on Chemoinformatics

Classification of "Mode of Action" and Regression Modeling on Environmental Toxicity of Phenols Derivatives. An Electronic-Structure Informatics Study Algafari Bakti Manggara, Manabu Sugimoto
Characterization of Multi-scale Structure-Property Relationships for Thermosetting Resins by Machine Learning and Molecular Dynamics Methods Dai Nagashima, Takuya Hatao
Development of Data Augmentation Method for Graph Data by Perturbating Feature Vectors Takahiro Inoue, Kenichi Tanaka, Funatsu Kimito
Comparing Predictive Ability of QSAR/QSPR Models Using 2D and 3D Molecular Representations Akinori Sato, Tomoyuki Miyao, Kimito Funatsu

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Most viewed articles (December 2025)

1

Evaluation of hydrolytic stability of drugs using theoretical calculations and kinetics simulations

Released on J-STAGE: October 19, 2017 | 40th Symposium on Chemoinformatics, Yamaguchi

* Toru Yamaguchi, Shohei Sanada, Michinori Sumimoto, Kenji Hori
2

A Theoretical study on solvatochromism of p-nitroaniline in super critical CO₂ : an approach with fragment-based molecular theory

Released on J-STAGE: October 19, 2017 | 40th Symposium on Chemoinformatics, Yamaguchi

* Chieko Terashima, Nahoko Kuroki, Hirotoshi Mori
3

Mordred: a novel descriptor calculating software

Released on J-STAGE: September 22, 2016 | 39th Symposium on Chemoinformatics, Hamamatsu

* Hirotomo Moriwaki, Norihito Kawashita, Yu-Shi Tian, Tatsuya Takagi
4

Theoretical study of Beckmann rearrangement using cyanuric chloride

Released on J-STAGE: October 19, 2017 | 40th Symposium on Chemoinformatics, Yamaguchi

* Kazu Yamada, Michinori Sumimoto, Kenji Hori
5

Prediction of activation energies for acid-catalyzed ester and amide hydrolysis using DFT calculations.

Released on J-STAGE: November 07, 2006 | 29th Symposium on Chemical Information and Computer Sciences, Niigata Pages J02

* Yutaka Ikenaga, Kenji Hori

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