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
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
2649-2652Informations 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.