SwissBioisostere: a database of molecular replacements for ligand design
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 a...
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| Format: | Online |
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Oxford University Press
2013
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| Online Access: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3531158/ |
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pubmed-35311582013-03-07 SwissBioisostere: a database of molecular replacements for ligand design Wirth, Matthias Zoete, Vincent Michielin, Olivier Sauer, Wolfgang H. B. Articles 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. Oxford University Press 2013-01 2012-11-17 /pmc/articles/PMC3531158/ /pubmed/23161688 http://dx.doi.org/10.1093/nar/gks1059 Text en © The Author(s) 2012. Published by Oxford University Press. http://creativecommons.org/licenses/by-nc/3.0 This is an Open Access article distributed under the terms of the Creative Commons Attribution License (http://creativecommons.org/licenses/by-nc/3.0/), which permits non-commercial reuse, distribution, and reproduction in any medium, provided the original work is properly cited. For commercial re-use, please contact journals.permissions@oup.com. |
| repository_type |
Open Access Journal |
| institution_category |
Foreign Institution |
| institution |
US National Center for Biotechnology Information |
| building |
NCBI PubMed |
| collection |
Online Access |
| language |
English |
| format |
Online |
| author |
Wirth, Matthias Zoete, Vincent Michielin, Olivier Sauer, Wolfgang H. B. |
| spellingShingle |
Wirth, Matthias Zoete, Vincent Michielin, Olivier Sauer, Wolfgang H. B. SwissBioisostere: a database of molecular replacements for ligand design |
| author_facet |
Wirth, Matthias Zoete, Vincent Michielin, Olivier Sauer, Wolfgang H. B. |
| author_sort |
Wirth, Matthias |
| title |
SwissBioisostere: a database of molecular replacements for ligand design |
| title_short |
SwissBioisostere: a database of molecular replacements for ligand design |
| title_full |
SwissBioisostere: a database of molecular replacements for ligand design |
| title_fullStr |
SwissBioisostere: a database of molecular replacements for ligand design |
| title_full_unstemmed |
SwissBioisostere: a database of molecular replacements for ligand design |
| title_sort |
swissbioisostere: a database of molecular replacements for ligand design |
| description |
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. |
| publisher |
Oxford University Press |
| publishDate |
2013 |
| url |
https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3531158/ |
| _version_ |
1611942990802059264 |