Taiwan Controlled Substances Database

Yung-Wen Huang; Olivia A. Lin; Bo-Han Su; Ping-Han Hsieh; Ming-Yang Ho; Tien-Chueh Kuo; Yufeng Jane Tseng

Journal of the Formosan Medical Association (Dec 2022)

Taiwan Controlled Substances Database

Yung-Wen Huang,
Olivia A. Lin,
Bo-Han Su,
Ping-Han Hsieh,
Ming-Yang Ho,
Tien-Chueh Kuo,
Yufeng Jane Tseng

Affiliations

Yung-Wen Huang: Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan
Olivia A. Lin: Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan
Bo-Han Su: Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan
Ping-Han Hsieh: Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan
Ming-Yang Ho: Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan
Tien-Chueh Kuo: Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan
Yufeng Jane Tseng: Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan; Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan; Corresponding author. Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan. Fax: +886 2 23628167.

Journal volume & issue: Vol. 121, no. 12
pp. 2649 – 2652

Abstract

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New psychoactive substances (NPS) have increasingly been illegally synthesized and used around the world in recent years. Due to the large volume and the variety of NPS, most do not have sufficient information about their addictive potential and harmful effects to human subjects. This makes it difficult to evaluate these potential substances of abuse. This study aims to build a database based on Taiwan's controlled substances, to provide quick structural and pharmacological feedback. Taiwan Controlled Substances Database (TCSD) includes the collection of controlled substances, relevant experimental and structural information, as well as computational features such as molecular fingerprints and descriptors. Two types of structural search were added: substructure search and topological fingerprint similarity search. A web framework was used to enhance accessibility and usability (https://cs2search.cmdm.tw).

Published in Journal of the Formosan Medical Association

ISSN: 0929-6646 (Print)
Publisher: Elsevier
Country of publisher: Netherlands
LCC subjects: Medicine: Medicine (General)
Website: http://www.journals.elsevier.com/journal-of-the-formosan-medical-association/

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