プロトンNMRスペクトルデータベース管理システムの改良

小林 尚大; 加藤 博明; 阿部 英次

doi:10.11545/ciqs.2005.0.JP07.0

28th Symposium on Chemical Information and Computer Sciences, Osaka

DOI https://doi.org/10.11545/ciqs.2005.0.JP07.0

Conference information

Host: Division of Chemical Information and Computer Science, The Chemical Society of Japan

Co-host: The Pharmaceutical Society of Japan, Japan Society for Bioscience, Biotechnology, and Agrochemistry, The Japan Society for Analytical Chemistry, Society of Computer Chemistry, Japan, Graduate School of Pharmaceutical Sciences, Osaka University, Japanese Society for Information and Systems in Education (Approaval)

Poster Session

present status of proton NMR spectral database management system

*Naohiro Kobayashi, Hiroaki Kato, Hidetsugu Abe

Author information

Keywords: database management system, proton NMR spectrum, CANOST code, chemical shift prediction, Java

CONFERENCE PROCEEDINGS FREE ACCESS

Pages JP07

Details

Abstract

We have been accumulating proton NMR spectral data over twenty years. And the database is constructed and various tools that can add, edit, and delete these data are developed. The database is now opened on WWW. In this research, the function for consistency check of the newly added data by the chemical shift prediction using the correlation table and its GUI are developed. Additionally, we will report another function that make it possible to incorporate CI-format data(old exchange format developed in our laboratory)to the present database.

Corresponding author

Register with J-STAGE for free!