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Items tagged with "chemspider" (46)
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Created: 2008-02-27 16:21:30 | Last updated: 2012-01-12 21:12:15
Credits:
Paul Dobson
License: Creative Commons Attribution-Share Alike 3.0 Unported License
File type: XML
Comments: 0 | Viewed: 508 times | Downloaded: 237 times
Tags:
Example PubChem, ChEBI and ChemSpider workflows
Created: 2010-07-23 11:13:09 | Last updated: 2010-07-23 11:21:05
40 items in this pack
Comments: 0 | Viewed: 109 times | Downloaded: 33 times
Tags:
Download from ChemSpider using Accurate Mass
(2)
Created: 2007-11-26 | Last updated: 2008-02-05
Credits:
Egon Willighagen
getInchIfromMassBankPeaklist_ChemSpider_wo...
(2)
Created: 2008-06-05 | Last updated: 2008-06-16
Credits:
Michael Gerlich
Download from ChemSpider using Accurate Ma...
(1)
Created: 2008-06-11 | Last updated: 2008-06-11
Credits:
Michael Gerlich
Egon Willighagen
Attributions:
Download from ChemSpider using Accurate Mass
Demo of ChemSpider InChi to SMILES webserv...
(1)
Created: 2009-03-28 | Last updated: 2009-03-28
Credits:
David De Roure
Search InChI in ChemSpider
(1)
Created: 2009-03-30 | Last updated: 2009-03-30
Credits:
Michael Gerlich
MassBank to KEGG
(1)
Created: 2009-03-30 | Last updated: 2009-03-30
Credits:
Michael Gerlich
Resolve an InChIKey on ChemSpider
(1)
Created: 2010-06-23 | Last updated: 2010-06-23
Credits:
Egon Willighagen
Generate inChi information
(1)
Created: 2010-07-09 | Last updated: 2010-07-09
Credits:
Peter Li
Generate inChi
(1)
Created: 2010-07-09 | Last updated: 2010-07-09
Credits:
Peter Li
InChi key to ChemSpider identifier
(1)
Created: 2010-07-09 | Last updated: 2010-07-09
Credits:
Peter Li
Convert chemical identifier
(1)
Created: 2010-07-09 | Last updated: 2010-07-09
Credits:
Peter Li
Get list of chemspider databases
(1)
Created: 2010-07-12 | Last updated: 2010-07-12
Credits:
Peter Li
Get extended compound information
(1)
Created: 2010-07-12 | Last updated: 2010-07-12
Credits:
Peter Li
Get extended compound information for a li...
(1)
Created: 2010-07-12 | Last updated: 2010-07-12
Credits:
Peter Li
Get ChemSpider record in MOL format
(1)
Created: 2010-07-12 | Last updated: 2010-07-12
Credits:
Peter Li
Get compound spectra information
(1)
Created: 2010-07-13 | Last updated: 2010-07-13
Credits:
Peter Li
Asynchronous chemspider simple search
(1)
Created: 2010-07-13 | Last updated: 2010-07-13
Credits:
Peter Li
Created: 2010-07-13 | Last updated: 2010-07-13
Credits:
Peter Li
Created: 2010-07-13 | Last updated: 2010-07-13
Credits:
Peter Li
Asynchronous chemspider search by formula
(1)
Created: 2010-07-13 | Last updated: 2010-07-13
Credits:
Peter Li
Text-mining using OSCAR to obtain a list o...
(1)
Created: 2013-04-18
Credits:
Michael Smith
Mark Borkum
Attributions:
InChIToCSID
From molecule name to SMILE and InchI usin...
(2)
Created: 2013-05-21 | Last updated: 2013-05-21
Credits:
Luna De Ferrari
Clustering of Molecular Compounds with Bio...
(4)
Created: 2013-05-29 | Last updated: 2014-01-09
Credits:
Antonino Fiannaca
Massimo La Rosa
Attributions:
Get compound information
Simple search
Find Labels in WikiPathways that are IUPAC...
(1)
Created: 2013-08-20
Credits:
Egon Willighagen
Finding nodes in Anopheles gambiae pathway...
(1)
Created: 2014-08-24
Credits:
Egon Willighagen
Attributions:
Extracts metabolites from GPML pathway files downloaded from WikiPathways
Finding nodes in Homo sapiens pathways wit...
(1)
Created: 2014-09-01
Credits:
Egon Willighagen
Attributions:
Finding nodes in Anopheles gambiae pathways with IUPAC names
Chemical2URIs
(1)
Created: 2015-08-18