SwissBioisostere: a database of molecular replacements for ligand design.

Détails

Ressource 1Télécharger: BIB_4E944B5211CD.P001.pdf (3908.61 [Ko])
Etat: Public
Version: de l'auteur⸱e
ID Serval
serval:BIB_4E944B5211CD
Type
Article: article d'un périodique ou d'un magazine.
Sous-type
Synthèse (review): revue aussi complète que possible des connaissances sur un sujet, rédigée à partir de l'analyse exhaustive des travaux publiés.
Collection
Publications
Institution
Titre
SwissBioisostere: a database of molecular replacements for ligand design.
Périodique
Nucleic Acids Research
Auteur⸱e⸱s
Wirth M., Zoete V., Michielin O., Sauer W.H.
ISSN
1362-4962 (Electronic)
ISSN-L
0305-1048
Statut éditorial
Publié
Date de publication
2013
Volume
41
Numéro
D1
Pages
D1137-D1143
Langue
anglais
Notes
Publication types: Journal Article
Article type changed to Review - Bibliomics - Alexandre Pinault
Résumé
The SwissBioisostere database (http://www.swissbioisostere.ch) contains information on molecular replacements and their performance in biochemical assays. It is meant to provide researchers in drug discovery projects with ideas for bioisosteric modifications of their current lead molecule, as well as to give interested scientists access to the details on particular molecular replacements. As of August 2012, the database contains 21 293 355 datapoints corresponding to 5 586 462 unique replacements that have been measured in 35 039 assays against 1948 molecular targets representing 30 target classes. The accessible data were created through detection of matched molecular pairs and mining bioactivity data in the ChEMBL database. The SwissBioisostere database is hosted by the Swiss Institute of Bioinformatics and available via a web-based interface.
Pubmed
Web of science
Open Access
Oui
Création de la notice
14/01/2013 16:01
Dernière modification de la notice
20/08/2019 14:04
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