Taiwan Controlled Substances Database.

Cheminformatics Controlled substances Database Taiwan

Journal

Journal of the Formosan Medical Association = Taiwan yi zhi
ISSN: 0929-6646
Titre abrégé: J Formos Med Assoc
Pays: Singapore
ID NLM: 9214933

Informations de publication

Date de publication:
Dec 2022
Historique:
received: 26 01 2022
revised: 22 03 2022
accepted: 26 06 2022
pubmed: 29 8 2022
medline: 24 11 2022
entrez: 28 8 2022
Statut: ppublish

Résumé

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).

Identifiants

pubmed: 36031487
pii: S0929-6646(22)00253-4
doi: 10.1016/j.jfma.2022.06.013
pii:
doi:

Substances chimiques

Controlled Substances 0

Types de publication

Journal Article

Langues

eng

Sous-ensembles de citation

IM

Pagination

2649-2652

Informations de copyright

Copyright © 2022. Published by Elsevier B.V.

Déclaration de conflit d'intérêts

Declaration of Competing Interest Authors declare there are no financial and nonfinancial conflicts of interest.

Auteurs

Yung-Wen Huang (YW)

Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan.

Olivia A Lin (OA)

Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan.

Bo-Han Su (BH)

Department of Computer Science and Information Engineering, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan.

Ping-Han Hsieh (PH)

Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan.

Ming-Yang Ho (MY)

Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan.

Tien-Chueh Kuo (TC)

Graduate Institute of Biomedical Electronics and Bioinformatics, National Taiwan University, No. 1 Roosevelt Rd. Sec. 4, Taipei 10617, Taiwan.

Yufeng Jane Tseng (YJ)

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. Electronic address: yjtseng@csie.ntu.edu.tw.

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Classifications MeSH