SwissBioisostere: a database of molecular replacements for ligand design.

Details

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State: Public
Version: author
Serval ID
serval:BIB_4E944B5211CD
Type
Article: article from journal or magazin.
Publication sub-type
Review (review): journal as complete as possible of one specific subject, written based on exhaustive analyses from published work.
Collection
Publications
Institution
Title
SwissBioisostere: a database of molecular replacements for ligand design.
Journal
Nucleic Acids Research
Author(s)
Wirth M., Zoete V., Michielin O., Sauer W.H.
ISSN
1362-4962 (Electronic)
ISSN-L
0305-1048
Publication state
Published
Issued date
2013
Volume
41
Number
D1
Pages
D1137-D1143
Language
english
Notes
Publication types: Journal Article
Article type changed to Review - Bibliomics - Alexandre Pinault
Abstract
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
Yes
Create date
14/01/2013 16:01
Last modification date
20/08/2019 14:04
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