>
Tag
> Links tagged with 'small molecule libraries'

Links tagged with 'small molecule libraries'

RSS FeedCompact ViewList as XMLList as JSON

Found 4 links

Displaying 4 links

ARISTOTool Content

http://www.ionspectra.org/aristo

Other Molecules > Compounds
Other Molecules > Metabolites
Other Molecules > Small Molecules

Automatic Reduction of Ion Spectra to Ontology (ARISTO) is a web tool which provides information regarding the chemical nature/ontology of the compound underlying an input electron ionization mass spectrum.

NAR Web Server Issue 2011
downloadDownload as XMLDownload as JSON
user feedback
0
No votes yet
tagsmass spectrometry small molecule libraries

ChemMine ToolsTool Content

http://chemmine.ucr.edu

Other Molecules > Small Molecules

ChemMine Tools is an online service for analyzing and clustering small molecules. A suite of cheminformatics and data mining tools for data visualization, structure comparison, similarity searching, compound clustering and prediction of chemical properties are available.

NAR Web Server Issue 2011
downloadDownload as XMLDownload as JSON
user feedback
0
No votes yet
tagsalgorithms cluster analysis data mining drug discovery genomics pharmaceutical preparations small molecule libraries structure-activity relationship

EDULISSDatabase Content

http://eduliss.bch.ed.ac.uk/

Other Molecules > Databases

EDULISS (EDinburgh University Ligand Selection System) 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.

NAR Database Issue 2011
downloadDownload as XMLDownload as JSON
user feedback
0
No votes yet
tagscyclin-dependent kinases data mining enzyme inhibitors factual databases pharmaceutical preparations protein kinase inhibitors pyruvate kinase small molecule libraries

wwLigCSRreTool Content

http://bioserv.rpbs.univ-paris-diderot.fr/wwLigCSRre.html

Other Molecules > Compounds
Other Molecules > Small Molecules
Protein > 3-D Structure Comparison

The wwLigCSRre web server performs ligand-based screening using 3D molecular similarity engine. Inputted 3D ligand molecules may be screened against banks such as Kinase-, CNS-, GPCR-, ion-channel-, antibacterial-, anticancer-, and analgesic-focused libraries or DrugBank database.

NAR Web Server Issue 2009
downloadDownload as XMLDownload as JSON
user feedback
0
No votes yet
tagscyclin-dependent kinase 2 drug design factual databases igf type 1 receptor ligands molecular models protein kinase inhibitors small molecule libraries structure-activity relationship