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 November 09, 2025)

CONFERENCE PROCEEDINGS FREE ACCESS

43th Symposium on Chemoinformatics

Development of system for prediction of energy density based online machine learning Junji Seino, Hiromi Nakai
An electronic-structure informatics study on hole-transport materials for perovskite solar cells: Molecular design of highly efficient phthalocyanine derivatives Md. Althaf Hussain, Kazuki Yoshida, Takafumi Inoue, Manabu Sugimoto
Comparing Predictive Ability of QSAR/QSPR Models Using 2D and 3D Molecular Representations Akinori Sato, Tomoyuki Miyao, Kimito Funatsu
AMES/QSAR predictions based on the combination of molecular graphs and molecular descriptors Kota Kurosaki, Shunichi Sasaki, Yasunari Matsuzaka, Yoshihiro Uesawa

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Most viewed articles (October 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

Regularized canonical correlation analysis for multivariate regression

Released on J-STAGE: November 08, 2007 | 30th Symposium on Chemical Information and Computer Sciences, Kyoto Pages J05

* Hiroyuki Yamamoto, Hiromu Ohno, Eiichiro Fukusaki, Hideki Fukuda
3

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
4

An electronic-structure informatics study on hole-transport materials for perovskite solar cells: Molecular design of highly efficient phthalocyanine derivatives

Released on J-STAGE: November 29, 2020 | 43th Symposium on Chemoinformatics

* Md. Althaf Hussain, Kazuki Yoshida, Takafumi Inoue, Manabu Sugimoto
5

Visualization of Prediction Basis of Chemical Compounds using Fingerprint

Released on J-STAGE: November 29, 2020 | 43th Symposium on Chemoinformatics

* Maki Nakahara, Shiho Mukaida, Koichi Iwakabe

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