EDULISS
Database stores structural, physicochemical and pharmacophoric properties of small molecules. For each compound a single 3D conformer is stored along with over 1600 calculated descriptor values (molecular properties). A very efficient method for unique compound recognition is demonstrated by making use of small subgroups of the descriptors.
Description
More detailed information about this field from each metasource.
Database stores structural, physicochemical and pharmacophoric properties of small molecules. For each compound a single 3D conformer is stored along with over 1600 calculated descriptor values (molecular properties). A very efficient method for unique compound recognition is demonstrated by making use of small subgroups of the descriptors.
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:36:02.717794
Webpage:
http://eduliss.bch.ed.ac.uk/Webpage
More detailed information about this field from each metasource.
http://eduliss.bch.ed.ac.uk/
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:36:02.717794
Publications:
Publications
More detailed information about this field from each metasource.
EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities
PMID: 21051336
metasource: bio.tools
version: extracted_at: 2022-11-04T11:36:02.717794
Publications
More detailed information about this field from each metasource.
EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities
PMID: 21051336
metasource: bio.tools
version: extracted_at: 2022-11-04T11:36:02.717794
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EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities
PubMed citations: 9.
9 articles citing: EDULISS: a small-molecule database with data-mining and pharmacophore searching capabilities
Computational resources associating diseases with genotypes, phenotypes and exposures. PMID:30102366
USR-VS: a web server for large-scale prospective virtual screening using ultrafast shape recognition techniques. PMID:27106057
Structure- and ligand-based virtual screening identifies new scaffolds for inhibitors of the oncoprotein MDM2. PMID:25884407
UFSRAT: Ultra-fast Shape Recognition with Atom Types--the discovery of novel bioactive small molecular scaffolds for FKBP12 and 11βHSD1. PMID:25659145
Biochemical evaluation of virtual screening methods reveals a cell-active inhibitor of the cancer-promoting phosphatases of regenerating liver. PMID:25159123
ZINCPharmer: pharmacophore search of the ZINC database. PMID:22553363
Structure-based and ligand-based virtual screening of novel methyltransferase inhibitors of the dengue virus. PMID:22373153
SuperTarget goes quantitative: update on drug-target interactions. PMID:22067455
The trypanocidal drug suramin and other trypan blue mimetics are inhibitors of pyruvate kinases and bind to the adenosine site. PMID:21733839
Tags:
Tags
More detailed information about this field from each metasource.
small molecules
metasource: bio.tools
version: extracted_at: 2022-11-04T11:36:02.717794
biophysics
metasource: bio.tools
version: extracted_at: 2022-11-04T11:36:02.717794
structure analysis
metasource: bio.tools
version: extracted_at: 2022-11-04T11:36:02.717794
data mining
metasource: bio.tools
version: extracted_at: 2022-11-04T11:36:02.717794
Tags
More detailed information about this field from each metasource.
small molecules
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:36:02.717794
biophysics
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:36:02.717794
structure analysis
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:36:02.717794
data mining
metasource: bio.toolsversion: extracted_at: 2022-11-04T11:36:02.717794
small molecule biophysics structure analysis data mining
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