Group: metabolomics

News

1. 

   Rajasekar Gutha, LINA ROZANO, Dr. Suneel Kumar BVS, Rob Davidson, and Barah joined the metabolomics group
2. 

   Paul Dobson shared CDK Example

   

   This workflow reads a library from an SD file (change the default value of Read_MDL_SD_File) and identifies those structures that conform to Lipinski's Rule of Five. It then performs a substructure query, represented as SMILES (change the default value on Parse_SMILES), on the structures that pass Li …

   Wednesday 08 May 2013 14:51:56 (UTC)
3. 

   Egon Willighagen shared List all Metabolites in WikiPathways

   

    Looks up all metabolites in WikiPathways using its SPARQL end point.

   Friday 08 March 2013 08:20:40 (UTC)
4. 

   Tony reynolds, Mcasfrox, Tsamv, Pragnya, Rakesh691, Saadkhan, Michaelvanvliet, Peter Leopold, Andy Tseng, and Aniraj joined the metabolomics group
5. 

   Paul Dobson shared Smiles Search of ChemSpider

   A Pipeline Pilot protocol to search ChemSpider by structure ( smile s string) to illustrate use of the ChemSpider wsdl

   Wednesday 04 March 2009 10:01:13 (UTC)
6. 

   Suza Adam, Jaymoore, Ruchi, Michael Gerlich, Duncan Hull, Paul Dobson, http://kaushalmehta4u.myopenid.com/, Tabma, Mkbehnke, mrobert, Egon Willighagen, and Peter Li joined the metabolomics group
7. 

   Mariebrown created the metabolomics group

   Thursday 29 November 2007 11:50:47 (UTC)