化合物の特性をドラッグライクに成長させるwebサービスの構築

新井 直樹; 吉川 舜亮; 安尾 信明; 中嶋 悠介; 吉野 龍之介; 関嶋 政和

doi:10.11545/ciqs.2015.0_104

38th Symposium on Chemoinformatics, Tokyo

DOI https://doi.org/10.11545/ciqs.2015.0_104

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

Poster Session

Building web service to improve compounds property to druglike

*Naoki Arai, Shunsuke Yoshikawa, Nobuaki Yasuo, Yusuke Nakashima, Ryunosuke Yoshino, Masakazu Sekizima

Author information

Keywords: drug discovery, virtual compounds library, web server

CONFERENCE PROCEEDINGS FREE ACCESS

Pages 104-105

Details

Abstract

In this study, we attempted to construct a web server that would compile libraries of chemical compounds with properties for different purposes. In response to the compound data input, this web server simulates virtual chemical reactions accordingly to generate digital data of new chemical compounds, thereby compiling virtual compound libraries. By imparting objectives to the virtual chemical reactions here, the server completes the compilation of libraries comprising compounds with properties for different purposes.

Corresponding author

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