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 October 11, 2026)

CONFERENCE PROCEEDINGS FREE ACCESS

43th Symposium on Chemoinformatics

Characterization of Multi-scale Structure-Property Relationships for Thermosetting Resins by Machine Learning and Molecular Dynamics Methods Dai Nagashima, Takuya Hatao
AMES/QSAR predictions based on the combination of molecular graphs and molecular descriptors Kota Kurosaki, Shunichi Sasaki, Yasunari Matsuzaka, Yoshihiro Uesawa
Method to search the most stable reaction path and show the results applying to the Pinner Pyrimidine reaction Eri Maeyama, Toru Yamaguchi, Michinori Sumimoto, Kenji Hori
Development of Nonlinear Regression Method for Extrapolation and Application to Efficient Experimental Parameter Search Kohei Numata, Kenichi Tanaka, Kimito Funatsu

View all articles in current issue

Most viewed articles (September 2026)

1

pKa calculation of some carboxylic acids using DFT calculation.

Released on J-STAGE: October 31, 2013 | 36th Symposium on Chemical Information and Computer Sciences, Tsukuba Pages O13

* Kenji Hori, Mitsuhiro Ogawa, Michinori Sumimoto
2

Application of Molecular Graph Convolutional Neural Network: Prediction of Protein-Ligand Activity and Biosynthesis Pathways.

Released on J-STAGE: October 22, 2019 | 42th Symposium on Chemoinformatics, Tokyo

* Naoaki Ono, Yu Miyazaki, Shigehiko Kanaya
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

Algorithm of pharmacophore model generation

Released on J-STAGE: November 20, 2014 | 37th Symposium on Chemical Information and Computer Sciences, Toyohashi Pages P10

* Yuji Takaoka
5

Characterization of Multi-scale Structure-Property Relationships for Thermosetting Resins by Machine Learning and Molecular Dynamics Methods

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

* Dai Nagashima, Takuya Hatao

Favorites & Alerts

Top